 Entering Gaussian System, Link 0=g16
 Input=NiComplex_M11_def2SVPDr.in
 Output=NiComplex_M11_def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
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                 11.124501923            0.44241976651
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            ****
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            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
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            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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                  2.2546815460           0.72619456861
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            P    3   1.00
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                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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                  2.5207180000          -1.0707548832
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
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                 11.547491000            1.5261602829
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
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            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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            S    1   1.00
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                  6.3036410000          -0.56379438345
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                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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            P    4   1.00
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                  6.2456140000          -0.44863071815131
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                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
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            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
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            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Complexes_Cheeseman/Gau-42392.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Complexes_Cheeseman/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     42394.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 6-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=64GB
 %chk=NiComplex_M11_def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=(UltraFineGrid) SCF=(NoSymm,MaxCyc=120) Polar=ROA 
 Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep  6 11:32:15 2021, MaxMem=  8589934592 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "NiComplex_M11_def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  Ni                                               -0.000000000000     -0.000000000000      0.652500000000
  N                                                -0.082892000000      1.531465000000      1.779512000000
  N                                                 0.035135000000      1.258858000000     -0.736700000000
  N                                                -0.035135000000     -1.258858000000     -0.736700000000
  N                                                 0.082892000000     -1.531465000000      1.779512000000
  C                                                -0.174405000000      1.886424000000      3.066827000000
  H                                                -0.190593000000      1.149673000000      3.853964000000
  C                                                -0.246672000000      3.286447000000      3.185987000000
  H                                                -0.325652000000      3.840549000000      4.106914000000
  C                                                -0.197796000000      3.805625000000      1.891409000000
  H                                                -0.229262000000      4.843857000000      1.601943000000
  C                                                -0.097056000000      2.701930000000      1.030922000000
  C                                                -0.000000000000      2.502585000000     -0.361601000000
  H                                                 0.056610000000      3.325630000000     -1.068678000000
  C                                                 0.316614000000      0.700637000000     -2.048574000000
  H                                                 1.404478000000      0.553540000000     -2.107013000000
  C                                                -0.124490000000      1.490760000000     -3.271684000000
  H                                                 0.338173000000      2.479802000000     -3.282004000000
  H                                                -1.208016000000      1.640740000000     -3.234017000000
  C                                                 0.267203000000      0.718040000000     -4.538312000000
  H                                                 1.359244000000      0.694817000000     -4.613383000000
  H                                                -0.093288000000      1.247887000000     -5.422265000000
  C                                                -0.267203000000     -0.718040000000     -4.538312000000
  H                                                 0.093288000000     -1.247887000000     -5.422265000000
  H                                                -1.359244000000     -0.694817000000     -4.613383000000
  C                                                 0.124490000000     -1.490760000000     -3.271684000000
  H                                                 1.208016000000     -1.640740000000     -3.234017000000
  H                                                -0.338173000000     -2.479802000000     -3.282004000000
  C                                                -0.316614000000     -0.700637000000     -2.048574000000
  H                                                -1.404478000000     -0.553540000000     -2.107013000000
  C                                                -0.000000000000     -2.502585000000     -0.361601000000
  H                                                -0.056610000000     -3.325630000000     -1.068678000000
  C                                                 0.097056000000     -2.701930000000      1.030922000000
  C                                                 0.197796000000     -3.805625000000      1.891409000000
  H                                                 0.229262000000     -4.843857000000      1.601943000000
  C                                                 0.246672000000     -3.286447000000      3.185987000000
  H                                                 0.325652000000     -3.840549000000      4.106914000000
  C                                                 0.174405000000     -1.886424000000      3.066827000000
  H                                                 0.190593000000     -1.149673000000      3.853964000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     39 NQM=       39 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          58          14          14          14          14          12           1          12           1          12
 AtmWgt=  57.9353471  14.0030740  14.0030740  14.0030740  14.0030740  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000
 NucSpn=           0           2           2           2           2           0           1           0           1           0
 AtZEff=  25.4800000   4.5500000   4.5500000   4.5500000   4.5500000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000
 NQMom=    0.0000000   2.0440000   2.0440000   2.0440000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.4037610   0.4037610   0.4037610   0.4037610   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000
 AtZNuc=  28.0000000   7.0000000   7.0000000   7.0000000   7.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1          12           1          12           1           1          12
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000
 NucSpn=           1           0           0           1           0           1           0           1           1           0
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1          12           1           1          12           1           1          12           1
 AtmWgt=   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           0           1           1           0           1           1           0           1
 AtZEff=   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39
 IAtWgt=          12           1          12          12           1          12           1          12           1
 AtmWgt=  12.0000000   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           1           0           0           1           0           1           0           1
 AtZEff=   3.6000000   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Sep  6 11:32:15 2021, MaxMem=  8589934592 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         28           0       -0.000000   -0.000000    0.652500
      2          7           0       -0.082892    1.531465    1.779512
      3          7           0        0.035135    1.258858   -0.736700
      4          7           0       -0.035135   -1.258858   -0.736700
      5          7           0        0.082892   -1.531465    1.779512
      6          6           0       -0.174405    1.886424    3.066827
      7          1           0       -0.190593    1.149673    3.853964
      8          6           0       -0.246672    3.286447    3.185987
      9          1           0       -0.325652    3.840549    4.106914
     10          6           0       -0.197796    3.805625    1.891409
     11          1           0       -0.229262    4.843857    1.601943
     12          6           0       -0.097056    2.701930    1.030922
     13          6           0       -0.000000    2.502585   -0.361601
     14          1           0        0.056610    3.325630   -1.068678
     15          6           0        0.316614    0.700637   -2.048574
     16          1           0        1.404478    0.553540   -2.107013
     17          6           0       -0.124490    1.490760   -3.271684
     18          1           0        0.338173    2.479802   -3.282004
     19          1           0       -1.208016    1.640740   -3.234017
     20          6           0        0.267203    0.718040   -4.538312
     21          1           0        1.359244    0.694817   -4.613383
     22          1           0       -0.093288    1.247887   -5.422265
     23          6           0       -0.267203   -0.718040   -4.538312
     24          1           0        0.093288   -1.247887   -5.422265
     25          1           0       -1.359244   -0.694817   -4.613383
     26          6           0        0.124490   -1.490760   -3.271684
     27          1           0        1.208016   -1.640740   -3.234017
     28          1           0       -0.338173   -2.479802   -3.282004
     29          6           0       -0.316614   -0.700637   -2.048574
     30          1           0       -1.404478   -0.553540   -2.107013
     31          6           0       -0.000000   -2.502585   -0.361601
     32          1           0       -0.056610   -3.325630   -1.068678
     33          6           0        0.097056   -2.701930    1.030922
     34          6           0        0.197796   -3.805625    1.891409
     35          1           0        0.229262   -4.843857    1.601943
     36          6           0        0.246672   -3.286447    3.185987
     37          1           0        0.325652   -3.840549    4.106914
     38          6           0        0.174405   -1.886424    3.066827
     39          1           0        0.190593   -1.149673    3.853964
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Ni   0.000000
     2  N    1.903264   0.000000
     3  N    1.875056   2.533687   0.000000
     4  N    1.875056   3.757593   2.518696   0.000000
     5  N    1.903264   3.067413   3.757593   2.533687   0.000000
     6  C    3.068874   1.338488   3.860643   4.937511   3.661331
     7  H    3.406970   2.112041   4.597507   5.186462   3.400977
     8  C    4.156938   2.254985   4.424704   6.007663   5.029817
     9  H    5.175794   3.287492   5.500536   7.039101   5.868751
    10  C    4.007094   2.279809   3.667047   5.708100   5.345637
    11  H    4.941351   3.320376   4.288517   6.538354   6.385429
    12  C    2.730027   1.389452   2.285699   4.337760   4.302836
    13  C    2.700247   2.352511   1.299535   3.780263   4.567800
    14  H    3.745060   3.369076   2.093375   4.597408   5.630653
    15  C    2.808369   3.937527   1.453222   2.384190   4.437471
    16  H    3.145453   4.274773   2.061633   2.689801   4.604228
    17  C    4.199653   5.051531   2.550569   3.740926   5.889943
    18  H    4.663057   5.166777   2.839209   4.538228   6.463310
    19  H    4.388205   5.139389   2.815644   4.002488   6.071639
    20  C    5.247048   6.379587   3.846894   4.295554   6.708885
    21  H    5.482685   6.606727   4.135224   4.559584   6.888724
    22  H    6.202314   7.207365   4.687337   5.314289   7.721491
    23  C    5.247048   6.708885   4.295554   3.846894   6.379587
    24  H    6.202314   7.721491   5.314289   4.687337   7.207365
    25  H    5.482685   6.888724   4.559584   4.135224   6.606727
    26  C    4.199653   5.889943   3.740926   2.550569   5.051531
    27  H    4.388205   6.071639   4.002488   2.815644   5.139389
    28  H    4.663057   6.463310   4.538228   2.839209   5.166777
    29  C    2.808369   4.437471   2.384190   1.453222   3.937527
    30  H    3.145453   4.604228   2.689801   2.061633   4.274773
    31  C    2.700247   4.567800   3.780263   1.299535   2.352511
    32  H    3.745060   5.630653   4.597408   2.093375   3.369076
    33  C    2.730027   4.302836   4.337760   2.285699   1.389452
    34  C    4.007094   5.345637   5.708100   3.667047   2.279809
    35  H    4.941351   6.385429   6.538354   4.288517   3.320376
    36  C    4.156938   5.029817   6.007663   4.424704   2.254985
    37  H    5.175794   5.868751   7.039101   5.500536   3.287492
    38  C    3.068874   3.661331   4.937511   3.860643   1.338488
    39  H    3.406970   3.400977   5.186462   4.597507   2.112041
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.078262   0.000000
     8  C    1.406942   2.239451   0.000000
     9  H    2.218842   2.706111   1.077670   0.000000
    10  C    2.250664   3.302386   1.395660   2.219466   0.000000
    11  H    3.300804   4.326672   2.221491   2.700148   1.078289
    12  C    2.194525   3.223014   2.237934   3.287923   1.403114
    13  C    3.487720   4.431443   3.641520   4.675877   2.610190
    14  H    4.384870   5.387792   4.265641   5.215172   3.009524
    15  C    5.273947   5.941283   5.865521   6.939855   5.042721
    16  H    5.571182   6.199425   6.181499   7.239521   5.397288
    17  C    6.351044   7.134113   6.703800   7.746334   5.658755
    18  H    6.397069   7.278109   6.544282   7.542440   5.367427
    19  H    6.389785   7.177449   6.696938   7.714078   5.654844
    20  C    7.707028   8.415829   8.156321   9.210943   7.147777
    21  H    7.921971   8.620026   8.374108   9.422212   7.376572
    22  H    8.513459   9.277259   8.847670   9.878317   7.748727
    23  C    8.039278   8.597937   8.700640   9.773642   7.861913
    24  H    9.053190   9.585265   9.735387  10.810779   8.894523
    25  H    8.188545   8.744361   8.827143   9.883392   7.994702
    26  C    7.188284   7.605657   8.041205   9.114230   7.403586
    27  H    7.352048   7.744804   8.222514   9.289022   7.609809
    28  H    7.707036   8.007303   8.665616   9.723328   8.141898
    29  C    5.734146   6.187042   6.580453   7.649345   5.986984
    30  H    5.851079   6.317254   6.640923   7.686662   6.037034
    31  C    5.572067   5.580887   6.794050   7.765889   6.701395
    32  H    6.654456   6.654224   7.864977   8.843826   7.722490
    33  C    5.027086   4.784052   6.373626   7.241853   6.570818
    34  C    5.824050   5.343917   7.222947   7.977872   7.621523
    35  H    6.899675   6.416407   8.296840   9.055480   8.664855
    36  C    5.191349   4.507389   6.591383   7.209004   7.222947
    37  H    5.842094   5.023227   7.209004   7.708662   7.977872
    38  C    3.788938   3.157640   5.191349   5.842094   5.824050
    39  H    3.157640   2.330728   4.507389   5.023227   5.343917
                   11         12         13         14         15
    11  H    0.000000
    12  C    2.220674   0.000000
    13  C    3.064249   1.410063   0.000000
    14  H    3.085280   2.195663   1.086538   0.000000
    15  C    5.548921   3.695889   2.488602   2.813963   0.000000
    16  H    5.901888   4.088621   2.969478   3.252594   1.099318
    17  C    5.916627   4.469911   3.083484   2.872765   1.521468
    18  H    5.455610   4.340518   2.940006   2.386109   2.165004
    19  H    5.882553   4.533218   3.233087   3.021064   2.147921
    20  C    7.414282   5.923248   4.549826   4.345369   2.490289
    21  H    7.639906   6.165022   4.815934   4.602496   2.768638
    22  H    7.892337   6.614974   5.214719   4.826303   3.442280
    23  C    8.284858   6.537699   5.280979   5.338022   2.924428
    24  H    9.303380   7.568415   6.299608   6.314438   3.902360
    25  H    8.401431   6.707398   5.490772   5.543787   3.366606
    26  C    8.000297   6.011668   4.942761   5.296740   2.516969
    27  H    8.215977   6.225086   5.184324   5.538886   2.771627
    28  H    8.803453   6.746096   5.785092   6.225569   3.473512
    29  C    6.638924   4.594449   3.634110   4.160567   1.537708
    30  H    6.653524   4.706811   3.789317   4.273275   2.130383
    31  C    7.607777   5.388461   5.005170   5.871222   3.634110
    32  H    8.596659   6.382902   5.871222   6.652224   4.160567
    33  C    7.574394   5.407345   5.388461   6.382902   4.594449
    34  C    8.664855   6.570818   6.701395   7.722490   5.986984
    35  H    9.698559   7.574394   7.607777   8.596659   6.638924
    36  C    8.296840   6.373626   6.794050   7.864977   6.580453
    37  H    9.055480   7.241853   7.765889   8.843826   7.649345
    38  C    6.899675   5.027086   5.572067   6.654456   5.734146
    39  H    6.416407   4.784052   5.580887   6.654224   6.187042
                   16         17         18         19         20
    16  H    0.000000
    17  C    2.138360   0.000000
    18  H    2.495615   1.091956   0.000000
    19  H    3.045861   1.094505   1.759838   0.000000
    20  C    2.689176   1.534557   2.164983   2.174588   0.000000
    21  H    2.510756   2.152939   2.449761   3.064024   1.094865
    22  H    3.703555   2.164477   2.506889   2.487043   1.091817
    23  C    3.212888   2.550198   3.488694   2.854848   1.532291
    24  H    3.994403   3.488927   4.305386   3.850453   2.162519
    25  H    3.934266   2.846317   3.838229   2.716679   2.155720
    26  C    2.678431   2.991898   3.976321   3.403422   2.550198
    27  H    2.474591   3.403422   4.211626   4.074963   2.854848
    28  H    3.690339   3.976321   5.005509   4.211626   3.488694
    29  C    2.130383   2.516969   3.473512   2.771627   2.924428
    30  H    3.019248   2.678431   3.690339   2.474591   3.212888
    31  C    3.789317   4.942761   5.785092   5.184324   5.280979
    32  H    4.273275   5.296740   6.225569   5.538886   5.338022
    33  C    4.706811   6.011668   6.746096   6.225086   6.537699
    34  C    6.037034   7.403586   8.141898   7.609809   7.861913
    35  H    6.653524   8.000297   8.803453   8.215977   8.284858
    36  C    6.640923   8.041205   8.665616   8.222514   8.700640
    37  H    7.686662   9.114230   9.723328   9.289022   9.773642
    38  C    5.851079   7.188284   7.707036   7.352048   8.039278
    39  H    6.317254   7.605657   8.007303   7.744804   8.597937
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.752149   0.000000
    23  C    2.155720   2.162519   0.000000
    24  H    2.455816   2.502738   1.091817   0.000000
    25  H    3.053074   2.455816   1.094865   1.752149   0.000000
    26  C    2.846317   3.488927   1.534557   2.164477   2.152939
    27  H    2.716679   3.850453   2.174588   2.487043   3.064024
    28  H    3.838229   4.305386   2.164983   2.506889   2.449761
    29  C    3.366606   3.902360   2.490289   3.442280   2.768638
    30  H    3.934266   3.994403   2.689176   3.703555   2.510756
    31  C    5.490772   6.299608   4.549826   5.214719   4.815934
    32  H    5.543787   6.314438   4.345369   4.826303   4.602496
    33  C    6.707398   7.568415   5.923248   6.614974   6.165022
    34  C    7.994702   8.894523   7.147777   7.748727   7.376572
    35  H    8.401431   9.303380   7.414282   7.892337   7.639906
    36  C    8.827143   9.735387   8.156321   8.847670   8.374108
    37  H    9.883392  10.810779   9.210943   9.878317   9.422212
    38  C    8.188545   9.053190   7.707028   8.513459   7.921971
    39  H    8.744361   9.585265   8.415829   9.277259   8.620026
                   26         27         28         29         30
    26  C    0.000000
    27  H    1.094505   0.000000
    28  H    1.091956   1.759838   0.000000
    29  C    1.521468   2.147921   2.165004   0.000000
    30  H    2.138360   3.045861   2.495615   1.099318   0.000000
    31  C    3.083484   3.233087   2.940006   2.488602   2.969478
    32  H    2.872765   3.021064   2.386109   2.813963   3.252594
    33  C    4.469911   4.533218   4.340518   3.695889   4.088621
    34  C    5.658755   5.654844   5.367427   5.042721   5.397288
    35  H    5.916627   5.882553   5.455610   5.548921   5.901888
    36  C    6.703800   6.696938   6.544282   5.865521   6.181499
    37  H    7.746334   7.714078   7.542440   6.939855   7.239521
    38  C    6.351044   6.389785   6.397069   5.273947   5.571182
    39  H    7.134113   7.177449   7.278109   5.941283   6.199425
                   31         32         33         34         35
    31  C    0.000000
    32  H    1.086538   0.000000
    33  C    1.410063   2.195663   0.000000
    34  C    2.610190   3.009524   1.403114   0.000000
    35  H    3.064249   3.085280   2.220674   1.078289   0.000000
    36  C    3.641520   4.265641   2.237934   1.395660   2.221491
    37  H    4.675877   5.215172   3.287923   2.219466   2.700148
    38  C    3.487720   4.384870   2.194525   2.250664   3.300804
    39  H    4.431443   5.387792   3.223014   3.302386   4.326672
                   36         37         38         39
    36  C    0.000000
    37  H    1.077670   0.000000
    38  C    1.406942   2.218842   0.000000
    39  H    2.239451   2.706111   1.078262   0.000000
 Stoichiometry    C16H18N4Ni
 Framework group  C2[C2(Ni),X(C16H18N4)]
 Deg. of freedom    56
 Full point group                 C2      NOp   2
 RotChk:  IX=0 Diff= 1.11D-15
 Largest Abelian subgroup         C2      NOp   2
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         28           0        0.000000    0.000000    0.652500
      2          7           0       -0.082892    1.531465    1.779512
      3          7           0        0.035135    1.258858   -0.736700
      4          7           0       -0.035135   -1.258858   -0.736700
      5          7           0        0.082892   -1.531465    1.779512
      6          6           0       -0.174405    1.886424    3.066827
      7          1           0       -0.190593    1.149673    3.853964
      8          6           0       -0.246672    3.286447    3.185987
      9          1           0       -0.325652    3.840549    4.106914
     10          6           0       -0.197796    3.805625    1.891409
     11          1           0       -0.229262    4.843857    1.601943
     12          6           0       -0.097056    2.701930    1.030922
     13          6           0        0.000000    2.502585   -0.361601
     14          1           0        0.056610    3.325630   -1.068678
     15          6           0        0.316614    0.700637   -2.048574
     16          1           0        1.404478    0.553540   -2.107013
     17          6           0       -0.124490    1.490760   -3.271684
     18          1           0        0.338173    2.479802   -3.282004
     19          1           0       -1.208016    1.640740   -3.234017
     20          6           0        0.267203    0.718040   -4.538312
     21          1           0        1.359244    0.694817   -4.613383
     22          1           0       -0.093288    1.247887   -5.422265
     23          6           0       -0.267203   -0.718040   -4.538312
     24          1           0        0.093288   -1.247887   -5.422265
     25          1           0       -1.359244   -0.694817   -4.613383
     26          6           0        0.124490   -1.490760   -3.271684
     27          1           0        1.208016   -1.640740   -3.234017
     28          1           0       -0.338173   -2.479802   -3.282004
     29          6           0       -0.316614   -0.700637   -2.048574
     30          1           0       -1.404478   -0.553540   -2.107013
     31          6           0       -0.000000   -2.502585   -0.361601
     32          1           0       -0.056610   -3.325630   -1.068678
     33          6           0        0.097056   -2.701930    1.030922
     34          6           0        0.197796   -3.805625    1.891409
     35          1           0        0.229262   -4.843857    1.601943
     36          6           0        0.246672   -3.286447    3.185987
     37          1           0        0.325652   -3.840549    4.106914
     38          6           0        0.174405   -1.886424    3.066827
     39          1           0        0.190593   -1.149673    3.853964
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3745811           0.2799131           0.1619734
 Leave Link  202 at Mon Sep  6 11:32:16 2021, MaxMem=  8589934592 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      9     11     14     16     18     19     21     22     24
 Centers:      25     27     28     30     32     35     37     39
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      8     10     12     13     15     17     20     23     26
 Centers:      29     31     33     34     36     38
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      4      5
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 6 1.00
     Exponent=  7.1074803211D+04 Coefficients=  1.4260386729D-03
     Exponent=  1.0672020941D+04 Coefficients=  1.0928236994D-02
     Exponent=  2.4281389007D+03 Coefficients=  5.4212626938D-02
     Exponent=  6.8553595148D+02 Coefficients=  1.8874768902D-01
     Exponent=  2.2310072863D+02 Coefficients=  3.8324616985D-01
     Exponent=  7.6842014042D+01 Coefficients=  2.9550637144D-01
 S 3 1.00
     Exponent=  1.4871122016D+02 Coefficients= -1.1014443059D-01
     Exponent=  1.7459154987D+01 Coefficients=  6.4521426988D-01
     Exponent=  7.1625280665D+00 Coefficients=  4.4797838103D-01
 S 3 1.00
     Exponent=  1.2556137125D+01 Coefficients= -2.2645403224D-01
     Exponent=  2.0735740488D+00 Coefficients=  7.2320959286D-01
     Exponent=  8.5382640602D-01 Coefficients=  4.4868026476D-01
 S 1 1.00
     Exponent=  1.0536766271D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.8134087688D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  9.1673608662D+02 Coefficients=  9.3439635610D-03
     Exponent=  2.1606139913D+02 Coefficients=  6.9737374902D-02
     Exponent=  6.8383914817D+01 Coefficients=  2.7073495012D-01
     Exponent=  2.4593843952D+01 Coefficients=  5.3078301549D-01
     Exponent=  9.1392960204D+00 Coefficients=  3.4410229438D-01
 P 3 1.00
     Exponent=  4.7193371746D+00 Coefficients=  3.4076082016D-01
     Exponent=  1.8161849234D+00 Coefficients=  5.6580169611D-01
     Exponent=  6.7840750720D-01 Coefficients=  2.3616717361D-01
 P 1 1.00
     Exponent=  1.4658800000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.8905548722D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  4.7093832108D+01 Coefficients=  2.8982316948D-02
     Exponent=  1.3146463975D+01 Coefficients=  1.5494995950D-01
     Exponent=  4.4170548925D+00 Coefficients=  3.7633115111D-01
     Exponent=  1.4771565078D+00 Coefficients=  4.7365096014D-01
 D 1 1.00
     Exponent=  4.3735921792D-01 Coefficients=  3.1247837833D-01
 F 1 1.00
     Exponent=  2.1740000000D+00 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   313 symmetry adapted cartesian basis functions of A   symmetry.
 There are   310 symmetry adapted cartesian basis functions of B   symmetry.
 There are   290 symmetry adapted basis functions of A   symmetry.
 There are   288 symmetry adapted basis functions of B   symmetry.
   578 basis functions,   904 primitive gaussians,   623 cartesian basis functions
    85 alpha electrons       85 beta electrons
       nuclear repulsion energy      2160.8498980136 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   39 NActive=   39 NUniq=   20 SFac= 3.80D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep  6 11:32:17 2021, MaxMem=  8589934592 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   578 RedAO= T EigKep=  1.75D-05  NBF=   290   288
 NBsUse=   578 1.00D-06 EigRej= -1.00D+00 NBFU=   290   288
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   617   617   617   617   617 MxSgAt=    39 MxSgA2=    39.
 Leave Link  302 at Mon Sep  6 11:32:18 2021, MaxMem=  8589934592 cpu:               9.4 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep  6 11:32:19 2021, MaxMem=  8589934592 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "NiComplex_M11_def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (A)
                 (B) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (A)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (B) (A) (A) (A) (B) (A) (B) (B) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (A) (A) (B) (B) (A) (A) (A)
                 (B)
       Virtual   (B) (A) (B) (A) (B) (B) (A) (A) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (B) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B) (A)
                 (B) (B) (A) (A) (B) (A) (B) (A) (A) (B) (A) (A)
                 (B) (A) (B) (B) (A) (B) (A) (B) (B) (A) (B) (A)
                 (B) (A) (B) (A) (A) (B) (A) (B) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (A)
                 (B) (B) (B) (B) (A) (A) (B) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (B) (B) (A) (A) (B) (B) (A) (A)
                 (B) (B) (A) (A) (A) (B) (A) (B) (A) (B) (B) (A)
                 (A) (B) (A) (B) (B) (A) (A) (A) (B) (B) (A) (B)
                 (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (A) (B)
                 (A) (B) (A) (B) (A) (A) (B) (B) (A) (B) (B) (A)
                 (A) (B) (B) (A) (A) (B) (A) (A) (B) (A) (B) (A)
                 (B) (B) (A) (B) (B) (B) (A) (A) (A) (B) (A) (A)
                 (B) (B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (A)
                 (B) (B) (B) (A) (A) (B) (A) (B) (A) (B) (B) (A)
                 (A) (B) (A) (B) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (B) (A) (A) (B) (A) (B) (B)
                 (B) (A) (A) (B) (A) (B) (A) (A) (B) (B) (A) (B)
                 (A) (B) (A) (A) (B) (B) (B) (A) (B) (A) (A) (B)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A) (A)
                 (A) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (A) (B) (B) (A) (A) (B) (A) (B) (A) (B) (A) (A)
                 (B) (B) (B) (A) (A) (A) (B) (A) (B) (B) (A) (B)
                 (B) (A) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B)
                 (B) (A) (A) (A) (B) (B) (A) (B) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (B) (A) (B) (B) (A) (B) (A)
                 (A) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (B)
                 (A) (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (B)
                 (A) (A) (B) (A) (A) (B) (B) (A) (A) (B) (B) (A)
                 (B) (B) (A) (A) (B) (B) (A) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (A) (B) (B) (B) (A) (A) (B) (A)
                 (B) (B) (A) (B) (A) (A) (B) (A) (B) (B) (A) (B)
                 (A) (A) (B) (A) (B) (B) (A) (B) (A) (B) (B) (A)
                 (B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (A) (B)
                 (A) (A) (B) (B) (B) (A) (A) (B) (A) (A) (B) (B)
                 (A) (A) (B) (B) (B) (A) (B) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (A) (A) (B) (A) (B) (B) (B) (B)
                 (B)
 The electronic state of the initial guess is 1-A.
 Leave Link  401 at Mon Sep  6 11:32:22 2021, MaxMem=  8589934592 cpu:              18.8 elap:               2.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  8589934592 LenX=  8589145964 LenY=  8588757212
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 1 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 E= -2346.44749911876    
 DIIS: error= 5.14D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -2346.44749911876     IErMin= 1 ErrMin= 5.14D-03
 ErrMax= 5.14D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.50D-02 BMatP= 3.50D-02
 IDIUse=3 WtCom= 9.49D-01 WtEn= 5.14D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.301 Goal=   None    Shift=    0.000
 GapD=    0.301 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.36D-03 MaxDP=7.44D-01              OVMax= 2.89D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.71D-03    CP:  1.16D+00
 E= -2346.48751261328     Delta-E=       -0.040013494514 Rises=F Damp=F
 DIIS: error= 2.82D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -2346.48751261328     IErMin= 2 ErrMin= 2.82D-03
 ErrMax= 2.82D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-03 BMatP= 3.50D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.82D-02
 Coeff-Com: -0.685D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.666D-01 0.107D+01
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=1.56D-03 MaxDP=1.24D-01 DE=-4.00D-02 OVMax= 2.10D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.92D-04    CP:  1.19D+00  1.16D+00
 E= -2346.48999188994     Delta-E=       -0.002479276662 Rises=F Damp=F
 DIIS: error= 1.18D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -2346.48999188994     IErMin= 3 ErrMin= 1.18D-03
 ErrMax= 1.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-03 BMatP= 1.39D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.18D-02
 Coeff-Com: -0.613D-01 0.529D+00 0.532D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.606D-01 0.523D+00 0.538D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=3.53D-04 MaxDP=1.96D-02 DE=-2.48D-03 OVMax= 6.70D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.18D-04    CP:  1.20D+00  1.17D+00  9.86D-01
 E= -2346.49081008501     Delta-E=       -0.000818195072 Rises=F Damp=F
 DIIS: error= 1.52D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -2346.49081008501     IErMin= 3 ErrMin= 1.18D-03
 ErrMax= 1.52D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-04 BMatP= 1.13D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.52D-02
 Coeff-Com: -0.248D-01 0.537D-01 0.306D+00 0.665D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.244D-01 0.529D-01 0.302D+00 0.670D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.70D-04 MaxDP=8.41D-03 DE=-8.18D-04 OVMax= 6.49D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.29D-04    CP:  1.20D+00  1.17D+00  1.06D+00  7.35D-01
 E= -2346.49104542860     Delta-E=       -0.000235343595 Rises=F Damp=F
 DIIS: error= 4.32D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -2346.49104542860     IErMin= 5 ErrMin= 4.32D-04
 ErrMax= 4.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-05 BMatP= 2.65D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.32D-03
 Coeff-Com:  0.328D-02-0.105D+00 0.285D-01 0.398D+00 0.675D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.326D-02-0.104D+00 0.284D-01 0.396D+00 0.676D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.05D-04 MaxDP=5.90D-03 DE=-2.35D-04 OVMax= 2.81D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.73D-05    CP:  1.20D+00  1.18D+00  1.08D+00  1.00D+00  1.05D+00
 E= -2346.49111980866     Delta-E=       -0.000074380058 Rises=F Damp=F
 DIIS: error= 2.07D-04 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -2346.49111980866     IErMin= 6 ErrMin= 2.07D-04
 ErrMax= 2.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-05 BMatP= 7.65D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.07D-03
 Coeff-Com:  0.591D-02-0.532D-01-0.606D-01 0.339D-01 0.340D+00 0.734D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.589D-02-0.531D-01-0.605D-01 0.339D-01 0.339D+00 0.735D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=2.59D-05 MaxDP=1.33D-03 DE=-7.44D-05 OVMax= 1.65D-03

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.01D-05    CP:  1.19D+00  1.18D+00  1.09D+00  1.02D+00  1.13D+00
                    CP:  9.33D-01
 E= -2346.49113769678     Delta-E=       -0.000017888120 Rises=F Damp=F
 DIIS: error= 5.12D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -2346.49113769678     IErMin= 7 ErrMin= 5.12D-05
 ErrMax= 5.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-06 BMatP= 1.14D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.147D-02-0.287D-03-0.247D-01-0.440D-01-0.249D-01 0.244D+00
 Coeff-Com:  0.849D+00
 Coeff:      0.147D-02-0.287D-03-0.247D-01-0.440D-01-0.249D-01 0.244D+00
 Coeff:      0.849D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=7.16D-04 DE=-1.79D-05 OVMax= 5.71D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.05D-06    CP:  1.19D+00  1.18D+00  1.09D+00  1.05D+00  1.14D+00
                    CP:  1.04D+00  1.10D+00
 E= -2346.49114013155     Delta-E=       -0.000002434763 Rises=F Damp=F
 DIIS: error= 1.44D-05 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -2346.49114013155     IErMin= 8 ErrMin= 1.44D-05
 ErrMax= 1.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-07 BMatP= 1.34D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.293D-03 0.706D-02-0.733D-03-0.188D-01-0.696D-01-0.618D-02
 Coeff-Com:  0.283D+00 0.806D+00
 Coeff:     -0.293D-03 0.706D-02-0.733D-03-0.188D-01-0.696D-01-0.618D-02
 Coeff:      0.283D+00 0.806D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=4.87D-06 MaxDP=2.28D-04 DE=-2.43D-06 OVMax= 2.14D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.99D-06    CP:  1.19D+00  1.18D+00  1.09D+00  1.06D+00  1.14D+00
                    CP:  1.08D+00  1.18D+00  1.12D+00
 E= -2346.49114050146     Delta-E=       -0.000000369915 Rises=F Damp=F
 DIIS: error= 6.25D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -2346.49114050146     IErMin= 9 ErrMin= 6.25D-06
 ErrMax= 6.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.70D-08 BMatP= 2.04D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.323D-03 0.325D-02 0.308D-02-0.251D-02-0.292D-01-0.293D-01
 Coeff-Com:  0.706D-02 0.350D+00 0.698D+00
 Coeff:     -0.323D-03 0.325D-02 0.308D-02-0.251D-02-0.292D-01-0.293D-01
 Coeff:      0.706D-02 0.350D+00 0.698D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.92D-06 MaxDP=1.01D-04 DE=-3.70D-07 OVMax= 9.60D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.20D-06    CP:  1.19D+00  1.18D+00  1.09D+00  1.06D+00  1.14D+00
                    CP:  1.09D+00  1.19D+00  1.22D+00  1.05D+00
 E= -2346.49114056886     Delta-E=       -0.000000067401 Rises=F Damp=F
 DIIS: error= 3.63D-06 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -2346.49114056886     IErMin=10 ErrMin= 3.63D-06
 ErrMax= 3.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.26D-09 BMatP= 3.70D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.637D-05-0.681D-03 0.957D-03 0.308D-02 0.700D-02-0.190D-02
 Coeff-Com: -0.574D-01-0.769D-01 0.127D+00 0.999D+00
 Coeff:     -0.637D-05-0.681D-03 0.957D-03 0.308D-02 0.700D-02-0.190D-02
 Coeff:     -0.574D-01-0.769D-01 0.127D+00 0.999D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.11D-06 MaxDP=6.51D-05 DE=-6.74D-08 OVMax= 8.34D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.06D-07    CP:  1.20D+00  1.18D+00  1.09D+00  1.06D+00  1.14D+00
                    CP:  1.09D+00  1.19D+00  1.28D+00  1.20D+00  1.25D+00
 E= -2346.49114059385     Delta-E=       -0.000000024991 Rises=F Damp=F
 DIIS: error= 2.79D-06 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -2346.49114059385     IErMin=11 ErrMin= 2.79D-06
 ErrMax= 2.79D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-09 BMatP= 5.26D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.971D-04-0.124D-02-0.643D-03 0.149D-02 0.110D-01 0.947D-02
 Coeff-Com: -0.220D-01-0.126D+00-0.189D+00 0.327D+00 0.990D+00
 Coeff:      0.971D-04-0.124D-02-0.643D-03 0.149D-02 0.110D-01 0.947D-02
 Coeff:     -0.220D-01-0.126D+00-0.189D+00 0.327D+00 0.990D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=7.09D-07 MaxDP=4.56D-05 DE=-2.50D-08 OVMax= 6.48D-05

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.91D-07    CP:  1.20D+00  1.18D+00  1.09D+00  1.06D+00  1.14D+00
                    CP:  1.09D+00  1.19D+00  1.31D+00  1.30D+00  1.49D+00
                    CP:  1.26D+00
 E= -2346.49114060342     Delta-E=       -0.000000009568 Rises=F Damp=F
 DIIS: error= 1.75D-06 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -2346.49114060342     IErMin=12 ErrMin= 1.75D-06
 ErrMax= 1.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.64D-10 BMatP= 2.00D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.235D-04-0.111D-03-0.267D-03-0.483D-03 0.664D-03 0.285D-02
 Coeff-Com:  0.827D-02-0.669D-02-0.719D-01-0.135D+00 0.200D+00 0.100D+01
 Coeff:      0.235D-04-0.111D-03-0.267D-03-0.483D-03 0.664D-03 0.285D-02
 Coeff:      0.827D-02-0.669D-02-0.719D-01-0.135D+00 0.200D+00 0.100D+01
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=2.51D-07 MaxDP=2.79D-05 DE=-9.57D-09 OVMax= 3.69D-05

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.55D-07    CP:  1.20D+00  1.18D+00  1.09D+00  1.06D+00  1.14D+00
                    CP:  1.09D+00  1.19D+00  1.31D+00  1.32D+00  1.56D+00
                    CP:  1.46D+00  1.20D+00
 E= -2346.49114060617     Delta-E=       -0.000000002745 Rises=F Damp=F
 DIIS: error= 1.17D-06 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -2346.49114060617     IErMin=13 ErrMin= 1.17D-06
 ErrMax= 1.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-10 BMatP= 4.64D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.218D-04 0.352D-03 0.130D-03-0.713D-03-0.318D-02-0.190D-02
 Coeff-Com:  0.957D-02 0.360D-01 0.329D-01-0.155D+00-0.274D+00 0.327D+00
 Coeff-Com:  0.103D+01
 Coeff:     -0.218D-04 0.352D-03 0.130D-03-0.713D-03-0.318D-02-0.190D-02
 Coeff:      0.957D-02 0.360D-01 0.329D-01-0.155D+00-0.274D+00 0.327D+00
 Coeff:      0.103D+01
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.70D-07 MaxDP=2.46D-05 DE=-2.74D-09 OVMax= 3.22D-05

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.00D-07    CP:  1.20D+00  1.18D+00  1.09D+00  1.06D+00  1.14D+00
                    CP:  1.09D+00  1.19D+00  1.32D+00  1.33D+00  1.60D+00
                    CP:  1.58D+00  1.41D+00  1.28D+00
 E= -2346.49114060769     Delta-E=       -0.000000001528 Rises=F Damp=F
 DIIS: error= 7.45D-07 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -2346.49114060769     IErMin=14 ErrMin= 7.45D-07
 ErrMax= 7.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-11 BMatP= 2.05D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.110D-04 0.580D-04 0.107D-03 0.195D-03-0.416D-03-0.130D-02
 Coeff-Com: -0.293D-02 0.369D-02 0.329D-01 0.555D-01-0.777D-01-0.451D+00
 Coeff-Com:  0.917D-01 0.135D+01
 Coeff:     -0.110D-04 0.580D-04 0.107D-03 0.195D-03-0.416D-03-0.130D-02
 Coeff:     -0.293D-02 0.369D-02 0.329D-01 0.555D-01-0.777D-01-0.451D+00
 Coeff:      0.917D-01 0.135D+01
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.10D-07 MaxDP=1.95D-05 DE=-1.53D-09 OVMax= 2.34D-05

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  6.06D-08    CP:  1.20D+00  1.18D+00  1.09D+00  1.06D+00  1.14D+00
                    CP:  1.09D+00  1.19D+00  1.32D+00  1.32D+00  1.59D+00
                    CP:  1.59D+00  1.50D+00  1.68D+00  1.53D+00
 E= -2346.49114060798     Delta-E=       -0.000000000291 Rises=F Damp=F
 DIIS: error= 3.14D-07 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -2346.49114060798     IErMin=15 ErrMin= 3.14D-07
 ErrMax= 3.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-11 BMatP= 6.29D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.608D-05-0.986D-04-0.595D-04 0.246D-03 0.940D-03 0.448D-03
 Coeff-Com: -0.261D-02-0.108D-01-0.894D-02 0.390D-01 0.971D-01-0.123D+00
 Coeff-Com: -0.254D+00-0.870D-01 0.135D+01
 Coeff:      0.608D-05-0.986D-04-0.595D-04 0.246D-03 0.940D-03 0.448D-03
 Coeff:     -0.261D-02-0.108D-01-0.894D-02 0.390D-01 0.971D-01-0.123D+00
 Coeff:     -0.254D+00-0.870D-01 0.135D+01
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=6.40D-08 MaxDP=1.02D-05 DE=-2.91D-10 OVMax= 1.18D-05

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  3.43D-08    CP:  1.20D+00  1.18D+00  1.09D+00  1.06D+00  1.14D+00
                    CP:  1.09D+00  1.19D+00  1.32D+00  1.32D+00  1.59D+00
                    CP:  1.59D+00  1.48D+00  1.80D+00  1.87D+00  1.49D+00
 E= -2346.49114060844     Delta-E=       -0.000000000452 Rises=F Damp=F
 DIIS: error= 8.57D-08 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -2346.49114060844     IErMin=16 ErrMin= 8.57D-08
 ErrMax= 8.57D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-12 BMatP= 1.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.255D-05-0.203D-04-0.346D-04 0.102D-05 0.196D-03 0.216D-03
 Coeff-Com:  0.381D-03-0.181D-02-0.658D-02-0.927D-02 0.292D-01 0.663D-01
 Coeff-Com: -0.319D-01-0.284D+00 0.179D+00 0.106D+01
 Coeff:      0.255D-05-0.203D-04-0.346D-04 0.102D-05 0.196D-03 0.216D-03
 Coeff:      0.381D-03-0.181D-02-0.658D-02-0.927D-02 0.292D-01 0.663D-01
 Coeff:     -0.319D-01-0.284D+00 0.179D+00 0.106D+01
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=2.53D-08 MaxDP=2.71D-06 DE=-4.52D-10 OVMax= 3.13D-06

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  1.27D-08    CP:  1.20D+00  1.18D+00  1.09D+00  1.06D+00  1.14D+00
                    CP:  1.09D+00  1.19D+00  1.32D+00  1.32D+00  1.59D+00
                    CP:  1.59D+00  1.47D+00  1.80D+00  1.92D+00  1.70D+00
                    CP:  1.29D+00
 E= -2346.49114060821     Delta-E=        0.000000000227 Rises=F Damp=F
 DIIS: error= 2.82D-08 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=16 EnMin= -2346.49114060844     IErMin=17 ErrMin= 2.82D-08
 ErrMax= 2.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.21D-13 BMatP= 2.38D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.619D-06 0.144D-04 0.923D-06-0.416D-04-0.130D-03-0.702D-04
 Coeff-Com:  0.600D-03 0.167D-02 0.653D-03-0.106D-01-0.113D-01 0.369D-01
 Coeff-Com:  0.460D-01-0.523D-01-0.219D+00 0.245D+00 0.962D+00
 Coeff:     -0.619D-06 0.144D-04 0.923D-06-0.416D-04-0.130D-03-0.702D-04
 Coeff:      0.600D-03 0.167D-02 0.653D-03-0.106D-01-0.113D-01 0.369D-01
 Coeff:      0.460D-01-0.523D-01-0.219D+00 0.245D+00 0.962D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.09D-08 MaxDP=7.46D-07 DE= 2.27D-10 OVMax= 9.97D-07

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  5.15D-09    CP:  1.20D+00  1.18D+00  1.09D+00  1.06D+00  1.14D+00
                    CP:  1.09D+00  1.19D+00  1.32D+00  1.32D+00  1.59D+00
                    CP:  1.59D+00  1.47D+00  1.79D+00  1.93D+00  1.75D+00
                    CP:  1.43D+00  1.37D+00
 E= -2346.49114060846     Delta-E=       -0.000000000256 Rises=F Damp=F
 DIIS: error= 1.16D-08 at cycle  18 NSaved=  18.
 NSaved=18 IEnMin=18 EnMin= -2346.49114060846     IErMin=18 ErrMin= 1.16D-08
 ErrMax= 1.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-14 BMatP= 4.21D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.402D-06 0.368D-05 0.413D-05-0.715D-06-0.343D-04-0.502D-04
 Coeff-Com: -0.293D-04 0.355D-03 0.122D-02 0.582D-03-0.483D-02-0.897D-02
 Coeff-Com:  0.996D-02 0.402D-01-0.487D-01-0.145D+00 0.103D+00 0.105D+01
 Coeff:     -0.402D-06 0.368D-05 0.413D-05-0.715D-06-0.343D-04-0.502D-04
 Coeff:     -0.293D-04 0.355D-03 0.122D-02 0.582D-03-0.483D-02-0.897D-02
 Coeff:      0.996D-02 0.402D-01-0.487D-01-0.145D+00 0.103D+00 0.105D+01
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=3.79D-09 MaxDP=1.80D-07 DE=-2.56D-10 OVMax= 3.32D-07

 SCF Done:  E(RM11) =  -2346.49114061     A.U. after   18 cycles
            NFock= 18  Conv=0.38D-08     -V/T= 2.0057
 KE= 2.333209511881D+03 PE=-9.863843152701D+03 EE= 3.023292602198D+03
 Leave Link  502 at Mon Sep  6 11:50:12 2021, MaxMem=  8589934592 cpu:            8553.6 elap:            1069.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   578
 NBasis=   578 NAE=    85 NBE=    85 NFC=     0 NFV=     0
 NROrb=    578 NOA=    85 NOB=    85 NVA=   493 NVB=   493

 **** Warning!!: The largest alpha MO coefficient is  0.29987237D+02

 Leave Link  801 at Mon Sep  6 11:50:13 2021, MaxMem=  8589934592 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        11924 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    8589934592 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          39
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.98D-13 8.33D-09 XBig12= 1.00D+00 4.49D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.98D-13 8.33D-09 XBig12= 2.53D-01 9.20D-02.
     11 vectors produced by pass  2 Test12= 6.98D-13 8.33D-09 XBig12= 8.54D-02 1.26D-01.
     11 vectors produced by pass  3 Test12= 6.98D-13 8.33D-09 XBig12= 5.13D-02 4.58D-02.
     11 vectors produced by pass  4 Test12= 6.98D-13 8.33D-09 XBig12= 1.16D-02 2.01D-02.
     11 vectors produced by pass  5 Test12= 6.98D-13 8.33D-09 XBig12= 1.45D-03 6.81D-03.
     11 vectors produced by pass  6 Test12= 6.98D-13 8.33D-09 XBig12= 1.88D-04 3.16D-03.
     11 vectors produced by pass  7 Test12= 6.98D-13 8.33D-09 XBig12= 1.72D-05 9.97D-04.
     11 vectors produced by pass  8 Test12= 6.98D-13 8.33D-09 XBig12= 1.13D-06 2.20D-04.
     11 vectors produced by pass  9 Test12= 6.98D-13 8.33D-09 XBig12= 7.05D-08 5.57D-05.
     11 vectors produced by pass 10 Test12= 6.98D-13 8.33D-09 XBig12= 5.09D-09 1.49D-05.
     11 vectors produced by pass 11 Test12= 6.98D-13 8.33D-09 XBig12= 2.78D-10 2.98D-06.
     11 vectors produced by pass 12 Test12= 6.98D-13 8.33D-09 XBig12= 1.27D-11 6.91D-07.
      8 vectors produced by pass 13 Test12= 6.98D-13 8.33D-09 XBig12= 1.29D-12 1.22D-07.
      3 vectors produced by pass 14 Test12= 6.98D-13 8.33D-09 XBig12= 4.25D-13 6.74D-08.
      2 vectors produced by pass 15 Test12= 6.98D-13 8.33D-09 XBig12= 8.66D-14 1.84D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   156 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.142255D+03
      2 -0.986754D+01  0.303721D+03
      3  0.000000D+00  0.000000D+00  0.373387D+03
 Isotropic polarizability for W=    0.085645      273.12 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.227650D+03
      2   0.000000D+00  0.000000D+00  0.261884D+03
      3   0.000000D+00  0.000000D+00 -0.342344D+02
      4   0.000000D+00  0.000000D+00 -0.643948D+02
      5  -0.889268D+02 -0.404392D+02  0.000000D+00
      6  -0.829044D+02  0.527485D+03  0.000000D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.380719D+02 -0.117241D+03  0.000000D+00
      2   0.405689D+02  0.213911D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.253684D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.239555D+02  0.265601D+03  0.000000D+00
      2  -0.138723D+03  0.185096D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.424651D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.400023D+01  0.350276D+02  0.000000D+00
      2   0.350276D+02  0.109791D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.191152D+02
 OR G Eigenvalues:   -27.7113    19.1152    42.6906  Iso=   -11.3649
 Eigenvectors:
   (1)   0.741326  -0.671145   0.000000
   (2)  -0.000000  -0.000000   1.000000
   (3)   0.671145   0.741326   0.000000
 w=    0.085645 a.u., Optical Rotation Beta=    -11.3649 au.
 Molar Mass =    325.0550 grams/mole, [Alpha] ( 5320.0 A) =    -1658.18 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  167331 ScalPx= 8.74D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  167331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.14D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.16D-13 2.78D-09 XBig12= 1.00D+00 4.42D-01.
     30 vectors produced by pass  1 Test12= 1.16D-13 2.78D-09 XBig12= 3.21D-01 2.24D-01.
     30 vectors produced by pass  2 Test12= 1.16D-13 2.78D-09 XBig12= 1.24D-02 2.71D-02.
     30 vectors produced by pass  3 Test12= 1.16D-13 2.78D-09 XBig12= 5.77D-04 6.83D-03.
     30 vectors produced by pass  4 Test12= 1.16D-13 2.78D-09 XBig12= 2.46D-05 1.08D-03.
     30 vectors produced by pass  5 Test12= 1.16D-13 2.78D-09 XBig12= 6.94D-07 1.95D-04.
     30 vectors produced by pass  6 Test12= 1.16D-13 2.78D-09 XBig12= 1.74D-08 2.38D-05.
     30 vectors produced by pass  7 Test12= 1.16D-13 2.78D-09 XBig12= 3.27D-10 2.30D-06.
     30 vectors produced by pass  8 Test12= 1.16D-13 2.78D-09 XBig12= 5.65D-12 3.20D-07.
     29 vectors produced by pass  9 Test12= 1.16D-13 2.78D-09 XBig12= 1.56D-13 3.68D-08.
     11 vectors produced by pass 10 Test12= 1.16D-13 2.78D-09 XBig12= 3.52D-14 1.51D-08.
      4 vectors produced by pass 11 Test12= 1.16D-13 2.78D-09 XBig12= 1.03D-13 2.23D-08.
      4 vectors produced by pass 12 Test12= 1.16D-13 2.78D-09 XBig12= 2.51D-13 4.18D-08.
      2 vectors produced by pass 13 Test12= 1.16D-13 2.78D-09 XBig12= 9.80D-14 1.86D-08.
      1 vectors produced by pass 14 Test12= 1.16D-13 2.78D-09 XBig12= 2.55D-15 3.43D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   321 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  167331 ScalPx= 2.95D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  167331 ScalPx= 2.95D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  167331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.80D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.142255D+03 -0.986754D+01  0.000000D+00
      2  -0.986754D+01  0.303721D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.373387D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.380719D+02 -0.117241D+03  0.000000D+00
      2   0.405689D+02  0.213911D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.253684D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.227650D+03
      2   0.000000D+00  0.000000D+00  0.261884D+03
      3   0.000000D+00  0.000000D+00 -0.342344D+02
      4   0.000000D+00  0.000000D+00 -0.643948D+02
      5  -0.889268D+02 -0.404392D+02  0.000000D+00
      6  -0.829044D+02  0.527485D+03  0.000000D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.102335D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.000000D+00 -0.390349D+00  0.000000D+00  0.000000D+00
      3  -0.102335D+01 -0.390349D+00  0.000000D+00  0.159178D+00 -0.744398D+00
                 6             7             8             9            10 
      1   0.159178D+00 -0.135251D+00  0.141510D+01  0.000000D+00  0.217886D+00
      2  -0.744398D+00  0.141510D+01 -0.128839D+02  0.000000D+00 -0.141079D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.163124D+02  0.521330D+00
                11            12            13            14            15 
      1  -0.141079D+01  0.521330D+00 -0.375888D+00  0.621875D+00  0.125146D+01
      2   0.120878D+01 -0.369599D+00  0.621875D+00 -0.824770D+01 -0.369052D+01
      3  -0.369599D+00 -0.132464D+01  0.125146D+01 -0.369052D+01 -0.149239D+02
                16            17            18            19            20 
      1  -0.597623D+00  0.395063D+00 -0.193310D+01  0.766939D+00 -0.339936D+01
      2   0.395063D+00 -0.184528D+02  0.282888D+01 -0.339936D+01  0.169123D+01
      3  -0.193310D+01  0.282888D+01  0.238595D+02 -0.278790D+01  0.562331D+00
                21            22            23            24            25 
      1  -0.278790D+01 -0.174301D+01  0.509627D+01  0.764999D+01 -0.831734D+00
      2   0.562331D+00  0.509627D+01 -0.414909D+02 -0.529946D+02  0.184126D+01
      3  -0.399769D+01  0.764999D+01 -0.529946D+02 -0.737638D+02  0.372266D+01
                26            27            28            29            30 
      1   0.184126D+01  0.372266D+01 -0.766939D+00  0.339936D+01 -0.278790D+01
      2  -0.126352D+01 -0.124349D+02  0.339936D+01 -0.169123D+01  0.562331D+00
      3  -0.124349D+02 -0.242325D+02 -0.278790D+01  0.562331D+00  0.399769D+01
                31            32            33            34            35 
      1   0.174301D+01 -0.509627D+01  0.764999D+01 -0.831734D+00  0.184126D+01
      2  -0.509627D+01  0.414909D+02 -0.529946D+02  0.184126D+01 -0.126352D+01
      3   0.764999D+01 -0.529946D+02  0.737638D+02 -0.372266D+01  0.124349D+02
                36            37            38            39            40 
      1  -0.372266D+01 -0.217886D+00  0.141079D+01  0.521330D+00  0.375888D+00
      2   0.124349D+02  0.141079D+01 -0.120878D+01 -0.369599D+00 -0.621875D+00
      3  -0.242325D+02  0.521330D+00 -0.369599D+00  0.132464D+01  0.125146D+01
                41            42            43            44            45 
      1  -0.621875D+00  0.125146D+01 -0.597623D+00  0.395063D+00  0.193310D+01
      2   0.824770D+01 -0.369052D+01  0.395063D+00 -0.184528D+02 -0.282888D+01
      3  -0.369052D+01  0.149239D+02  0.193310D+01 -0.282888D+01  0.238595D+02
                46            47            48            49            50 
      1  -0.946079D+00  0.845141D+00  0.700196D+01 -0.258999D+01 -0.663251D+00
      2   0.845141D+00 -0.130101D+01  0.644133D+00 -0.663251D+00  0.157937D+02
      3   0.700196D+01  0.644133D+00  0.312044D+01  0.278315D+01 -0.264710D+01
                51            52            53            54            55 
      1   0.278315D+01  0.783293D+00 -0.389552D+00  0.161142D+01  0.138251D+00
      2  -0.264710D+01 -0.389552D+00  0.146637D+02 -0.286027D+01 -0.455261D+00
      3  -0.346434D+02  0.161142D+01 -0.286027D+01 -0.120153D+02 -0.698106D+00
                56            57            58            59            60 
      1  -0.455261D+00 -0.698106D+00 -0.377733D+00 -0.107847D+00  0.177836D+00
      2  -0.192945D+00 -0.203111D-01 -0.107847D+00 -0.199330D+01  0.160850D+01
      3  -0.203111D-01 -0.544998D+00  0.177836D+00  0.160850D+01 -0.250321D+01
                61            62            63            64            65 
      1   0.739490D+00  0.257712D-01 -0.437606D+00 -0.139937D+01  0.410398D+01
      2   0.257712D-01  0.154875D+01 -0.138613D+01  0.410398D+01  0.389900D+00
      3  -0.437606D+00 -0.138613D+01  0.759877D+01  0.591711D+01  0.317577D+00
                66            67            68            69            70 
      1   0.591711D+01  0.157758D+01  0.454435D-01 -0.289909D+01  0.348734D+01
      2   0.317577D+00  0.454435D-01 -0.948689D+01  0.116734D+02 -0.993445D-01
      3  -0.919487D-01 -0.289909D+01  0.116734D+02  0.401637D+02  0.199722D+01
                71            72            73            74            75 
      1  -0.993445D-01  0.199722D+01 -0.661227D-01 -0.606603D-01 -0.241082D+00
      2   0.145223D+02 -0.171789D+01 -0.606603D-01 -0.679266D+00 -0.813027D+00
      3  -0.171789D+01 -0.165363D+02 -0.241082D+00 -0.813027D+00 -0.117779D+01
                76            77            78            79            80 
      1   0.471726D+00 -0.482630D+00 -0.472521D+00  0.814106D+00 -0.622250D+00
      2  -0.482630D+00  0.478245D+01  0.449519D+01 -0.622250D+00  0.489566D+01
      3  -0.472521D+00  0.449519D+01  0.466005D+01 -0.104470D+01  0.671734D+01
                81            82            83            84            85 
      1  -0.104470D+01 -0.882471D+00  0.736778D+01  0.282632D+01  0.343207D+01
      2   0.671734D+01  0.736778D+01 -0.104413D+00 -0.139394D+01 -0.103657D+01
      3   0.117672D+02  0.282632D+01 -0.139394D+01 -0.322807D+01 -0.205604D+01
                86            87            88            89            90 
      1  -0.103657D+01 -0.205604D+01 -0.174190D+01 -0.851401D+00 -0.369525D+01
      2   0.134707D+02  0.163786D+02 -0.851401D+00  0.107314D-02  0.203818D+02
      3   0.163786D+02  0.241057D+02 -0.369525D+01  0.203818D+02  0.400464D+02
                91            92            93            94            95 
      1   0.427826D-01 -0.376047D+00 -0.509173D+00  0.844629D+00 -0.619038D+00
      2  -0.376047D+00 -0.542510D+00 -0.174536D+00 -0.619038D+00  0.147657D+02
      3  -0.509173D+00 -0.174536D+00 -0.118978D+00  0.979032D-01  0.317022D-02
                96            97            98            99           100 
      1   0.979032D-01 -0.155879D+00  0.249893D-01 -0.152366D+00  0.499696D+00
      2   0.317022D-02  0.249893D-01 -0.321406D+01  0.145818D+01  0.178516D-01
      3  -0.104690D+01 -0.152366D+00  0.145818D+01  0.890236D+00 -0.246011D+01
               101           102           103           104           105 
      1   0.178516D-01 -0.246011D+01 -0.156232D+01  0.168326D+01  0.171625D+01
      2   0.247154D+01  0.330346D+01  0.168326D+01 -0.142091D+02 -0.197219D+02
      3   0.330346D+01  0.528022D+01  0.171625D+01 -0.197219D+02 -0.146554D+02
               106           107           108           109           110 
      1  -0.327286D+00  0.248357D+01  0.414268D+01  0.307685D+00  0.191541D+01
      2   0.248357D+01 -0.229731D+02 -0.298087D+02  0.191541D+01 -0.248986D+01
      3   0.414268D+01 -0.298087D+02 -0.455636D+02 -0.285241D+01 -0.148005D+00
               111           112           113           114           115 
      1  -0.285241D+01  0.131093D+01 -0.456061D+01 -0.641437D+01 -0.136895D+01
      2  -0.148005D+00 -0.456061D+01  0.376648D+02  0.514639D+02 -0.997071D+00
      3   0.136085D+01 -0.641437D+01  0.514639D+02  0.710542D+02 -0.186288D+01
               116           117           118           119           120 
      1  -0.997071D+00 -0.186288D+01  0.666453D-01  0.798568D+00 -0.205353D+00
      2   0.150653D+02  0.173870D+02  0.798568D+00 -0.634606D-01 -0.968178D+00
      3   0.173870D+02  0.221435D+02 -0.205353D+00 -0.968178D+00 -0.142455D+01
               121           122           123           124           125 
      1   0.797415D+00  0.353227D+00 -0.117063D+00 -0.366516D+00 -0.297718D+00
      2   0.353227D+00  0.514435D+01 -0.455308D+01 -0.297718D+00 -0.192836D+01
      3  -0.117063D+00 -0.455308D+01  0.354603D+01 -0.196868D+00  0.518567D+01
               126           127           128           129           130 
      1  -0.196868D+00 -0.740359D+01  0.373832D+01  0.429590D+01  0.181371D+01
      2   0.518567D+01  0.373832D+01 -0.747312D-01 -0.697497D+01 -0.585794D+00
      3  -0.148378D+01  0.429590D+01 -0.697497D+01 -0.923312D+01 -0.221528D+01
               131           132           133           134           135 
      1  -0.585794D+00 -0.221528D+01  0.137424D+01 -0.265282D+01 -0.356449D+01
      2   0.743000D+01  0.509585D+01 -0.265282D+01  0.553328D+01  0.854374D+01
      3   0.509585D+01  0.417537D+01 -0.356449D+01  0.854374D+01  0.236829D+02
               136           137           138           139           140 
      1   0.740997D+01 -0.213442D+01 -0.519046D+01 -0.709473D+00  0.118611D+01
      2  -0.213442D+01  0.179403D+01  0.514563D+01  0.118611D+01 -0.266194D+01
      3  -0.519046D+01  0.514563D+01  0.112763D+02  0.333114D+00 -0.133963D+01
               141           142           143           144           145 
      1   0.333114D+00 -0.391377D+00  0.431597D+00  0.189106D+01  0.591916D+01
      2  -0.133963D+01  0.431597D+00 -0.551813D+00 -0.150861D+01 -0.205937D+01
      3  -0.379570D+00  0.189106D+01 -0.150861D+01 -0.624317D+01  0.178138D-01
               146           147           148           149           150 
      1  -0.205937D+01  0.178138D-01 -0.148442D+01 -0.232184D+01  0.212452D+00
      2  -0.316806D+01  0.140821D+01 -0.232184D+01 -0.292330D+01  0.813787D+00
      3   0.140821D+01 -0.240686D+01  0.212452D+00  0.813787D+00  0.729573D+01
               151           152           153           154           155 
      1  -0.237997D+00  0.186722D+00 -0.114213D+01  0.692921D+00  0.182606D+01
      2   0.186722D+00  0.508462D+00  0.303027D+01  0.182606D+01  0.247087D+01
      3  -0.114213D+01  0.303027D+01 -0.481265D+01 -0.549381D+00 -0.805765D+00
               156           157           158           159           160 
      1  -0.549381D+00  0.122498D+01  0.176397D+01 -0.341312D+00 -0.117319D+00
      2  -0.805765D+00  0.176397D+01  0.784601D+01 -0.226201D+01 -0.151829D+00
      3   0.206589D+01 -0.341312D+00 -0.226201D+01  0.231679D+01  0.822849D+00
               161           162           163           164           165 
      1  -0.151829D+00  0.822849D+00 -0.656090D+01  0.181085D+01 -0.134254D+01
      2  -0.468881D+00  0.162330D+01  0.181085D+01 -0.145028D+01  0.517394D+00
      3   0.162330D+01 -0.252338D+00 -0.134254D+01  0.517394D+00 -0.297835D+01
               166           167           168           169           170 
      1   0.867759D+00 -0.102830D+01  0.367775D+00  0.943621D-02 -0.480504D-01
      2  -0.102830D+01  0.138493D+01 -0.545440D+00 -0.480504D-01 -0.324546D-01
      3   0.367775D+00 -0.545440D+00 -0.858082D+00 -0.114339D+01  0.212764D+00
               171           172           173           174           175 
      1  -0.114339D+01 -0.678489D+01 -0.359629D+00  0.184869D+01  0.165110D+00
      2   0.212764D+00 -0.359629D+00  0.225536D+01 -0.806921D+00  0.174403D+01
      3   0.493819D+00  0.184869D+01 -0.806921D+00  0.436184D+01 -0.571372D+00
               176           177           178           179           180 
      1   0.174403D+01 -0.571372D+00  0.764345D+00 -0.263691D+00  0.245646D+01
      2   0.163293D+01  0.678463D+00 -0.263691D+00  0.964126D+00 -0.619781D+01
      3   0.678463D+00 -0.843297D+01  0.245646D+01 -0.619781D+01  0.307999D+01
               181           182           183           184           185 
      1   0.785856D+01  0.858923D+00 -0.303469D+01 -0.534516D-01  0.885855D+00
      2   0.858923D+00  0.132432D+01 -0.175190D+00  0.885855D+00 -0.222850D+00
      3  -0.303469D+01 -0.175190D+00  0.311057D+01 -0.390966D-01 -0.577662D+00
               186           187           188           189           190 
      1  -0.390966D-01 -0.769406D+00 -0.473056D-01  0.140950D+01 -0.274614D+00
      2  -0.577662D+00 -0.473056D-01 -0.138426D+00  0.837138D+00  0.805885D+00
      3   0.753654D+00  0.140950D+01  0.837138D+00 -0.134129D+01 -0.204624D+01
               191           192           193           194           195 
      1   0.805885D+00 -0.204624D+01  0.527828D+00 -0.753795D+00  0.456623D+00
      2  -0.126140D+01  0.946875D+00 -0.753795D+00  0.265061D+01 -0.350665D+01
      3   0.946875D+00 -0.387792D+01  0.456623D+00 -0.350665D+01  0.599371D+01
               196           197           198           199           200 
      1  -0.998637D+00  0.324513D+00 -0.143642D+01  0.678489D+01  0.359629D+00
      2   0.324513D+00 -0.223727D+01  0.415270D+01  0.359629D+00 -0.225536D+01
      3  -0.143642D+01  0.415270D+01 -0.129254D+02  0.184869D+01 -0.806921D+00
               201           202           203           204           205 
      1   0.184869D+01 -0.165110D+00 -0.174403D+01 -0.571372D+00  0.764345D+00
      2  -0.806921D+00 -0.174403D+01 -0.163293D+01  0.678463D+00 -0.263691D+00
      3  -0.436184D+01 -0.571372D+00  0.678463D+00  0.843297D+01 -0.245646D+01
               206           207           208           209           210 
      1  -0.263691D+00 -0.245646D+01  0.274614D+00 -0.805885D+00 -0.204624D+01
      2   0.964126D+00  0.619781D+01 -0.805885D+00  0.126140D+01  0.946875D+00
      3   0.619781D+01  0.307999D+01 -0.204624D+01  0.946875D+00  0.387792D+01
               211           212           213           214           215 
      1  -0.527828D+00  0.753795D+00  0.456623D+00 -0.998637D+00  0.324513D+00
      2   0.753795D+00 -0.265061D+01 -0.350665D+01  0.324513D+00 -0.223727D+01
      3   0.456623D+00 -0.350665D+01 -0.599371D+01  0.143642D+01 -0.415270D+01
               216           217           218           219           220 
      1   0.143642D+01 -0.785856D+01 -0.858923D+00 -0.303469D+01  0.534516D-01
      2  -0.415270D+01 -0.858923D+00 -0.132432D+01 -0.175190D+00 -0.885855D+00
      3  -0.129254D+02 -0.303469D+01 -0.175190D+00 -0.311057D+01 -0.390966D-01
               221           222           223           224           225 
      1  -0.885855D+00 -0.390966D-01 -0.769406D+00 -0.473056D-01 -0.140950D+01
      2   0.222850D+00 -0.577662D+00 -0.473056D-01 -0.138426D+00 -0.837138D+00
      3  -0.577662D+00 -0.753654D+00 -0.140950D+01 -0.837138D+00 -0.134129D+01
               226           227           228           229           230 
      1  -0.591916D+01  0.205937D+01  0.178138D-01  0.148442D+01  0.232184D+01
      2   0.205937D+01  0.316806D+01  0.140821D+01  0.232184D+01  0.292330D+01
      3   0.178138D-01  0.140821D+01  0.240686D+01  0.212452D+00  0.813787D+00
               231           232           233           234           235 
      1   0.212452D+00 -0.237997D+00  0.186722D+00  0.114213D+01  0.656090D+01
      2   0.813787D+00  0.186722D+00  0.508462D+00 -0.303027D+01 -0.181085D+01
      3  -0.729573D+01  0.114213D+01 -0.303027D+01 -0.481265D+01 -0.134254D+01
               236           237           238           239           240 
      1  -0.181085D+01 -0.134254D+01 -0.867759D+00  0.102830D+01  0.367775D+00
      2   0.145028D+01  0.517394D+00  0.102830D+01 -0.138493D+01 -0.545440D+00
      3   0.517394D+00  0.297835D+01  0.367775D+00 -0.545440D+00  0.858082D+00
               241           242           243           244           245 
      1   0.943621D-02 -0.480504D-01  0.114339D+01 -0.692921D+00 -0.182606D+01
      2  -0.480504D-01 -0.324546D-01 -0.212764D+00 -0.182606D+01 -0.247087D+01
      3   0.114339D+01 -0.212764D+00  0.493819D+00 -0.549381D+00 -0.805765D+00
               246           247           248           249           250 
      1  -0.549381D+00 -0.122498D+01 -0.176397D+01 -0.341312D+00 -0.117319D+00
      2  -0.805765D+00 -0.176397D+01 -0.784601D+01 -0.226201D+01 -0.151829D+00
      3  -0.206589D+01 -0.341312D+00 -0.226201D+01 -0.231679D+01 -0.822849D+00
               251           252           253           254           255 
      1  -0.151829D+00 -0.822849D+00  0.740359D+01 -0.373832D+01  0.429590D+01
      2  -0.468881D+00 -0.162330D+01 -0.373832D+01  0.747312D-01 -0.697497D+01
      3  -0.162330D+01 -0.252338D+00  0.429590D+01 -0.697497D+01  0.923312D+01
               256           257           258           259           260 
      1  -0.181371D+01  0.585794D+00 -0.221528D+01  0.137424D+01 -0.265282D+01
      2   0.585794D+00 -0.743000D+01  0.509585D+01 -0.265282D+01  0.553328D+01
      3  -0.221528D+01  0.509585D+01 -0.417537D+01  0.356449D+01 -0.854374D+01
               261           262           263           264           265 
      1   0.356449D+01 -0.740997D+01  0.213442D+01 -0.519046D+01  0.709473D+00
      2  -0.854374D+01  0.213442D+01 -0.179403D+01  0.514563D+01 -0.118611D+01
      3   0.236829D+02 -0.519046D+01  0.514563D+01 -0.112763D+02  0.333114D+00
               266           267           268           269           270 
      1  -0.118611D+01  0.333114D+00 -0.391377D+00  0.431597D+00 -0.189106D+01
      2   0.266194D+01 -0.133963D+01  0.431597D+00 -0.551813D+00  0.150861D+01
      3  -0.133963D+01  0.379570D+00 -0.189106D+01  0.150861D+01 -0.624317D+01
               271           272           273           274           275 
      1  -0.307685D+00 -0.191541D+01 -0.285241D+01 -0.131093D+01  0.456061D+01
      2  -0.191541D+01  0.248986D+01 -0.148005D+00  0.456061D+01 -0.376648D+02
      3  -0.285241D+01 -0.148005D+00 -0.136085D+01 -0.641437D+01  0.514639D+02
               276           277           278           279           280 
      1  -0.641437D+01 -0.136895D+01 -0.997071D+00  0.186288D+01 -0.666453D-01
      2   0.514639D+02 -0.997071D+00  0.150653D+02 -0.173870D+02 -0.798568D+00
      3  -0.710542D+02  0.186288D+01 -0.173870D+02  0.221435D+02 -0.205353D+00
               281           282           283           284           285 
      1  -0.798568D+00 -0.205353D+00 -0.797415D+00 -0.353227D+00 -0.117063D+00
      2   0.634606D-01 -0.968178D+00 -0.353227D+00 -0.514435D+01 -0.455308D+01
      3  -0.968178D+00  0.142455D+01 -0.117063D+00 -0.455308D+01 -0.354603D+01
               286           287           288           289           290 
      1  -0.366516D+00 -0.297718D+00  0.196868D+00 -0.499696D+00 -0.178516D-01
      2  -0.297718D+00 -0.192836D+01 -0.518567D+01 -0.178516D-01 -0.247154D+01
      3   0.196868D+00 -0.518567D+01 -0.148378D+01 -0.246011D+01  0.330346D+01
               291           292           293           294           295 
      1  -0.246011D+01  0.156232D+01 -0.168326D+01  0.171625D+01 -0.327286D+00
      2   0.330346D+01 -0.168326D+01  0.142091D+02 -0.197219D+02  0.248357D+01
      3  -0.528022D+01  0.171625D+01 -0.197219D+02  0.146554D+02 -0.414268D+01
               296           297           298           299           300 
      1   0.248357D+01 -0.414268D+01  0.882471D+00 -0.736778D+01  0.282632D+01
      2  -0.229731D+02  0.298087D+02 -0.736778D+01  0.104413D+00 -0.139394D+01
      3   0.298087D+02 -0.455636D+02  0.282632D+01 -0.139394D+01  0.322807D+01
               301           302           303           304           305 
      1  -0.343207D+01  0.103657D+01 -0.205604D+01 -0.174190D+01 -0.851401D+00
      2   0.103657D+01 -0.134707D+02  0.163786D+02 -0.851401D+00  0.107313D-02
      3  -0.205604D+01  0.163786D+02 -0.241057D+02  0.369525D+01 -0.203818D+02
               306           307           308           309           310 
      1   0.369525D+01 -0.427826D-01  0.376047D+00 -0.509173D+00 -0.844629D+00
      2  -0.203818D+02  0.376047D+00  0.542510D+00 -0.174536D+00  0.619038D+00
      3   0.400464D+02 -0.509173D+00 -0.174536D+00  0.118978D+00  0.979032D-01
               311           312           313           314           315 
      1   0.619038D+00  0.979032D-01 -0.155879D+00  0.249893D-01  0.152366D+00
      2  -0.147657D+02  0.317022D-02  0.249893D-01 -0.321406D+01 -0.145818D+01
      3   0.317022D-02  0.104690D+01  0.152366D+00 -0.145818D+01  0.890236D+00
               316           317           318           319           320 
      1   0.139937D+01 -0.410398D+01  0.591711D+01 -0.157758D+01 -0.454435D-01
      2  -0.410398D+01 -0.389900D+00  0.317577D+00 -0.454435D-01  0.948689D+01
      3   0.591711D+01  0.317577D+00  0.919487D-01 -0.289909D+01  0.116734D+02
               321           322           323           324           325 
      1  -0.289909D+01  0.348734D+01 -0.993445D-01 -0.199722D+01  0.661227D-01
      2   0.116734D+02 -0.993445D-01  0.145223D+02  0.171789D+01  0.606603D-01
      3  -0.401637D+02 -0.199722D+01  0.171789D+01 -0.165363D+02 -0.241082D+00
               326           327           328           329           330 
      1   0.606603D-01 -0.241082D+00 -0.471726D+00  0.482630D+00 -0.472521D+00
      2   0.679266D+00 -0.813027D+00  0.482630D+00 -0.478245D+01  0.449519D+01
      3  -0.813027D+00  0.117779D+01 -0.472521D+00  0.449519D+01 -0.466005D+01
               331           332           333           334           335 
      1   0.814106D+00 -0.622250D+00  0.104470D+01  0.946079D+00 -0.845141D+00
      2  -0.622250D+00  0.489566D+01 -0.671734D+01 -0.845141D+00  0.130101D+01
      3   0.104470D+01 -0.671734D+01  0.117672D+02  0.700196D+01  0.644133D+00
               336           337           338           339           340 
      1   0.700196D+01  0.258999D+01  0.663251D+00  0.278315D+01  0.783293D+00
      2   0.644133D+00  0.663251D+00 -0.157937D+02 -0.264710D+01 -0.389552D+00
      3  -0.312044D+01  0.278315D+01 -0.264710D+01  0.346434D+02 -0.161142D+01
               341           342           343           344           345 
      1  -0.389552D+00 -0.161142D+01 -0.138251D+00  0.455261D+00 -0.698106D+00
      2   0.146637D+02  0.286027D+01  0.455261D+00  0.192945D+00 -0.203111D-01
      3   0.286027D+01 -0.120153D+02 -0.698106D+00 -0.203111D-01  0.544998D+00
               346           347           348           349           350 
      1   0.377733D+00  0.107847D+00  0.177836D+00  0.739490D+00  0.257712D-01
      2   0.107847D+00  0.199330D+01  0.160850D+01  0.257712D-01  0.154875D+01
      3   0.177836D+00  0.160850D+01  0.250321D+01  0.437606D+00  0.138613D+01
               351 
      1   0.437606D+00
      2   0.138613D+01
      3   0.759877D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00  0.865694D+01  0.000000D+00  0.118543D-05
      2   0.000000D+00  0.000000D+00  0.203200D+02  0.000000D+00  0.000000D+00
      3   0.435282D+00 -0.547059D+02  0.000000D+00 -0.721006D+01  0.918290D+01
                 6             7             8             9            10 
      1  -0.219468D+02 -0.754897D+00  0.906714D+02  0.000000D+00 -0.363951D+01
      2   0.717801D+00  0.204002D+01 -0.140254D+02  0.000000D+00 -0.376405D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.145096D+01 -0.408672D+00
                11            12            13            14            15 
      1   0.101005D+01  0.348199D+00 -0.421370D+01 -0.495676D+02  0.165255D+03
      2   0.383738D+02  0.189928D+02 -0.518170D+00 -0.148004D+01  0.462893D+01
      3  -0.154391D+02  0.259412D+02  0.488486D+01 -0.184994D+01  0.371223D+01
                16            17            18            19            20 
      1   0.242501D+02 -0.274446D+03 -0.246710D+03  0.192618D+02 -0.260172D+01
      2   0.436811D+01 -0.408184D+01 -0.291173D+01  0.345495D+01 -0.648450D+02
      3   0.169244D+01  0.688515D+00 -0.627829D+01  0.452701D+01 -0.217568D+02
                21            22            23            24            25 
      1   0.113270D+02 -0.247603D+02  0.653503D+02  0.450125D+03 -0.291832D+02
      2  -0.177611D+02 -0.802072D+01 -0.138521D+02  0.383451D+00 -0.888952D+01
      3  -0.602549D+02  0.586418D+01 -0.614766D+01 -0.235144D+01  0.168627D+00
                26            27            28            29            30 
      1   0.228318D+03  0.181293D+03 -0.192618D+02  0.260172D+01  0.113270D+02
      2   0.473035D+01 -0.605842D+00 -0.345495D+01  0.648450D+02 -0.177611D+02
      3   0.151516D+01 -0.435688D+01  0.452701D+01 -0.217568D+02  0.602549D+02
                31            32            33            34            35 
      1   0.247603D+02 -0.653503D+02  0.450125D+03 -0.291832D+02  0.228318D+03
      2   0.802072D+01  0.138521D+02  0.383449D+00 -0.888952D+01  0.473035D+01
      3   0.586418D+01 -0.614766D+01  0.235145D+01 -0.168627D+00 -0.151516D+01
                36            37            38            39            40 
      1  -0.181293D+03  0.363951D+01 -0.101005D+01  0.348200D+00  0.421370D+01
      2   0.605843D+00  0.376405D+01 -0.383738D+02  0.189928D+02  0.518170D+00
      3  -0.435688D+01 -0.408672D+00 -0.154391D+02 -0.259412D+02  0.488486D+01
                41            42            43            44            45 
      1   0.495676D+02  0.165255D+03  0.242501D+02 -0.274446D+03  0.246710D+03
      2   0.148004D+01  0.462893D+01  0.436811D+01 -0.408184D+01  0.291173D+01
      3  -0.184994D+01 -0.371223D+01 -0.169244D+01 -0.688516D+00 -0.627829D+01
                46            47            48            49            50 
      1  -0.369967D+02 -0.327468D+01 -0.147307D+02 -0.148902D+02  0.133987D+02
      2   0.162740D+01 -0.762512D+01 -0.204340D+02  0.797405D+01  0.100518D+01
      3  -0.587391D+00 -0.584846D+01  0.358322D+01 -0.519601D+01 -0.822734D+00
                51            52            53            54            55 
      1   0.217246D+03 -0.120282D+02  0.101385D+03  0.108577D+03  0.541518D+01
      2   0.169706D+01 -0.648649D+01  0.186459D+01  0.388241D+00 -0.451931D+00
      3   0.376138D+01  0.732758D+00 -0.425211D+00  0.411834D+01 -0.296325D+00
                56            57            58            59            60 
      1   0.184440D+00 -0.287657D+00 -0.450988D+00 -0.268434D+02  0.238219D+02
      2   0.221366D+01  0.483837D+01  0.223708D+01 -0.717571D+00  0.548992D+00
      3   0.639309D-01  0.689137D+01  0.595292D+00 -0.611069D+00  0.944264D+00
                61            62            63            64            65 
      1   0.242891D+01  0.149813D+02 -0.306762D+02 -0.152509D+02  0.375042D+01
      2  -0.368425D+01  0.406781D+00 -0.199885D-01  0.226098D+01 -0.171756D+02
      3   0.691547D-02  0.365642D+00 -0.879220D+00 -0.298387D+01  0.263288D+01
                66            67            68            69            70 
      1   0.523231D+01  0.180478D+02 -0.109501D+03 -0.238839D+03 -0.886828D+01
      2  -0.786315D+01 -0.281963D+01 -0.192930D+01 -0.175128D+01 -0.143112D+02
      3   0.151007D+02  0.219829D+01 -0.110610D+01 -0.625031D+01  0.151342D+02
                71            72            73            74            75 
      1   0.429220D+02  0.106287D+03  0.191643D+01  0.382524D+00  0.135737D+01
      2  -0.577749D+00 -0.162537D+01  0.400013D+00  0.324722D+01  0.268411D+01
      3   0.893054D+00  0.415165D+01 -0.338586D+00 -0.230462D+01 -0.208970D+01
                76            77            78            79            80 
      1   0.295232D+00 -0.166467D+01 -0.286704D+01  0.207701D+01 -0.617017D+01
      2  -0.262311D+01  0.506723D+00  0.402608D+00 -0.504990D+01  0.589266D+00
      3   0.268853D+01 -0.305840D+00 -0.552947D+00  0.421339D+01 -0.789476D+00
                81            82            83            84            85 
      1  -0.241886D+02  0.175357D+01  0.877998D+01  0.135123D+02  0.839281D+01
      2   0.494716D+00 -0.905039D+00 -0.285604D+01  0.242526D+02 -0.525383D+01
      3  -0.181008D+01 -0.154579D+01  0.243204D+02  0.151572D+02  0.134111D+02
                86            87            88            89            90 
      1  -0.579632D+02 -0.113142D+03  0.163345D+02 -0.131303D+03 -0.185937D+03
      2   0.175734D+01  0.178204D+01  0.133536D+02  0.321823D+01  0.565599D+01
      3   0.876958D+00 -0.176427D+01 -0.102826D+02 -0.409382D+00 -0.517542D+01
                91            92            93            94            95 
      1   0.140104D+01  0.624168D-01  0.641987D+00 -0.182998D+01  0.276310D+02
      2  -0.353970D-01 -0.271550D+00  0.407192D-01 -0.955907D+00  0.158634D+01
      3   0.335766D+00 -0.642405D+01 -0.515375D+01  0.636720D+01  0.381447D+00
                96            97            98            99           100 
      1   0.552906D+01  0.605953D+00 -0.897770D+01 -0.350673D+00  0.828408D+01
      2  -0.143128D+00 -0.167123D+00 -0.510218D+00  0.192227D+00  0.321165D+00
      3   0.674163D-01 -0.163105D+01 -0.875859D+00 -0.559037D+00  0.448210D+00
               101           102           103           104           105 
      1  -0.104620D+02 -0.206205D+02  0.110981D+01  0.542208D+02 -0.440851D+02
      2  -0.337792D+01  0.163648D+02  0.239838D+00 -0.607237D+01 -0.668957D+01
      3   0.489839D+00 -0.606645D+01 -0.520963D+01  0.704020D+00 -0.198358D+01
               106           107           108           109           110 
      1  -0.181903D+02  0.151184D+03  0.297323D+03  0.115548D+02  0.869047D+01
      2  -0.121263D+02 -0.589065D+01  0.227917D-01 -0.286739D+01  0.275526D+02
      3   0.478811D+01 -0.145968D-01  0.530312D+01  0.360155D+01 -0.187095D+02
               111           112           113           114           115 
      1  -0.188201D+01  0.374333D+02 -0.309726D+03 -0.476178D+03  0.280663D+01
      2   0.401869D+02  0.486541D+01  0.992186D+01  0.141461D+01  0.113604D+02
      3  -0.267659D+02 -0.394394D+01 -0.181606D+01 -0.715466D+01 -0.102104D+02
               116           117           118           119           120 
      1  -0.415633D+02 -0.133837D+03  0.104348D+01  0.967766D+00  0.579074D+01
      2   0.479663D+01  0.251958D+01 -0.240349D+00  0.912825D+01  0.371892D+00
      3   0.157270D+01 -0.851442D+00 -0.261394D+00  0.352595D+01  0.897341D+01
               121           122           123           124           125 
      1   0.539483D+00  0.999847D+01 -0.152593D+02  0.158090D+01 -0.259269D+02
      2   0.218377D+01  0.132805D+00 -0.446022D+00 -0.200177D+01  0.967349D+00
      3   0.452063D+01  0.102066D+01 -0.944845D+00 -0.291649D+01 -0.458902D+00
               126           127           128           129           130 
      1   0.574819D+00 -0.263914D+02  0.460493D+01  0.440966D+02  0.782648D+01
      2   0.107357D+00 -0.162724D+02  0.206490D+02  0.226651D+02  0.580669D+01
      3   0.699621D+00 -0.618384D+01  0.640161D+01  0.141737D+02  0.309787D+01
               131           132           133           134           135 
      1  -0.838865D+02 -0.530569D+02  0.207167D+02 -0.444672D+02 -0.116404D+03
      2   0.131137D+01 -0.450895D+01  0.254720D+01  0.413440D+01  0.739388D+01
      3  -0.109635D+01 -0.111994D+00  0.914589D-01  0.191870D+01  0.536897D+01
               136           137           138           139           140 
      1   0.174019D+02 -0.142146D+02 -0.448505D+02 -0.486720D+01  0.184799D+02
      2   0.153125D+02 -0.281247D+01 -0.235074D+01 -0.114510D+01 -0.971467D+00
      3   0.577791D+01 -0.453019D+01 -0.339459D+01 -0.190802D+00  0.305465D+01
               141           142           143           144           145 
      1   0.255905D+01 -0.503628D+01  0.120934D+02  0.245506D+02  0.835705D+01
      2  -0.584049D+00 -0.124106D+01 -0.220142D+01  0.567159D+00  0.199973D+02
      3   0.275231D+01 -0.874103D-02 -0.413321D-01  0.826818D+00  0.101819D+02
               146           147           148           149           150 
      1   0.118698D+02 -0.582999D+01  0.117707D+02  0.123443D+02 -0.187098D+02
      2  -0.562485D+01  0.594793D+01 -0.563378D+01 -0.327507D+01  0.425360D+01
      3  -0.726006D+01  0.376025D+01 -0.117398D+01 -0.362870D+01  0.246707D+01
               151           152           153           154           155 
      1   0.109889D+01 -0.359545D+01 -0.281439D+01 -0.695103D+01 -0.100627D+02
      2  -0.334198D+01  0.241491D+01 -0.737699D+01  0.214630D+01  0.586254D+01
      3   0.498699D-01  0.929017D+00 -0.276023D+01  0.177222D+01  0.313324D+01
               156           157           158           159           160 
      1  -0.168619D+01 -0.706409D+01 -0.324287D+02  0.130004D+01 -0.117622D+01
      2  -0.479765D-01  0.425156D+01  0.553341D+01 -0.797766D+00 -0.902774D+00
      3  -0.143815D+01  0.499606D+01  0.406244D+01 -0.111899D+01 -0.347369D+00
               161           162           163           164           165 
      1  -0.231011D+01 -0.108364D+02 -0.528343D+01  0.530977D+01  0.533664D+01
      2  -0.800318D+00  0.315398D+01 -0.223448D+02  0.655069D+01 -0.198019D+00
      3  -0.582810D+00  0.120023D+01 -0.123390D+02  0.110082D+00 -0.219508D+01
               166           167           168           169           170 
      1   0.367161D+01 -0.537654D+01  0.229389D+01  0.246337D+01  0.278516D+00
      2   0.289818D+01 -0.371127D+01  0.114751D+01 -0.737072D+00 -0.737966D-01
      3   0.205255D+01 -0.143651D+01  0.576323D+00  0.207775D+00  0.267054D+00
               171           172           173           174           175 
      1  -0.430270D+01 -0.692764D-01 -0.107084D+02  0.373041D+00 -0.944186D+01
      2  -0.406149D+01 -0.326888D+02 -0.177948D+01  0.152632D+02  0.110932D+01
      3  -0.109375D+01 -0.554378D+01 -0.407437D+01  0.253851D+01  0.176265D+01
               176           177           178           179           180 
      1  -0.142163D+02 -0.269785D+00 -0.729945D+00  0.578933D+01  0.347437D+02
      2   0.860962D+01 -0.540639D+01  0.222709D+01 -0.289297D+01  0.150037D+02
      3   0.156108D+01 -0.228323D+01  0.690848D+00 -0.907346D+00  0.472208D+01
               181           182           183           184           185 
      1  -0.214693D+01 -0.787293D+01 -0.185116D+01 -0.455536D+01  0.252648D+01
      2   0.373469D+02  0.410266D+01 -0.989919D+01 -0.432001D+00  0.398259D+01
      3   0.670945D+01 -0.280317D+01 -0.270814D+01  0.587308D+00  0.115357D+01
               186           187           188           189           190 
      1   0.537116D+00 -0.931558D+00  0.241647D+00 -0.379144D+01 -0.239872D+01
      2   0.121935D-01 -0.375182D+01  0.515014D+00  0.661905D+01 -0.194161D+01
      3   0.399106D+00 -0.542577D+00  0.630750D-01  0.613813D+00 -0.616892D+00
               191           192           193           194           195 
      1   0.708519D+01 -0.606087D+00  0.378088D+01 -0.117655D+02  0.113658D+02
      2   0.384808D+01 -0.986766D+01  0.351353D+01 -0.430290D+01  0.369724D+01
      3  -0.116624D+00 -0.244627D+01  0.186959D+01 -0.105420D+01  0.151665D+01
               196           197           198           199           200 
      1  -0.307804D+00  0.121725D+02 -0.912213D+01  0.692765D-01  0.107084D+02
      2  -0.776175D+01  0.287303D+01 -0.987188D+01  0.326888D+02  0.177948D+01
      3  -0.186645D+01  0.102220D+01 -0.251482D+01 -0.554378D+01 -0.407437D+01
               201           202           203           204           205 
      1   0.373042D+00  0.944185D+01  0.142163D+02 -0.269785D+00 -0.729945D+00
      2   0.152632D+02 -0.110932D+01 -0.860962D+01 -0.540639D+01  0.222709D+01
      3  -0.253851D+01  0.176265D+01  0.156108D+01  0.228323D+01 -0.690848D+00
               206           207           208           209           210 
      1   0.578933D+01 -0.347438D+02  0.239872D+01 -0.708519D+01 -0.606088D+00
      2  -0.289297D+01 -0.150037D+02  0.194161D+01 -0.384808D+01 -0.986766D+01
      3   0.907346D+00  0.472208D+01 -0.616892D+00 -0.116624D+00  0.244627D+01
               211           212           213           214           215 
      1  -0.378088D+01  0.117655D+02  0.113658D+02 -0.307804D+00  0.121725D+02
      2  -0.351353D+01  0.430290D+01  0.369724D+01 -0.776175D+01  0.287303D+01
      3   0.186959D+01 -0.105420D+01 -0.151665D+01  0.186645D+01 -0.102220D+01
               216           217           218           219           220 
      1   0.912213D+01  0.214693D+01  0.787293D+01 -0.185116D+01  0.455536D+01
      2   0.987188D+01 -0.373469D+02 -0.410266D+01 -0.989919D+01  0.432001D+00
      3  -0.251482D+01  0.670945D+01 -0.280317D+01  0.270814D+01  0.587308D+00
               221           222           223           224           225 
      1  -0.252648D+01  0.537116D+00 -0.931558D+00  0.241647D+00  0.379144D+01
      2  -0.398259D+01  0.121930D-01 -0.375182D+01  0.515015D+00 -0.661905D+01
      3   0.115357D+01 -0.399106D+00  0.542577D+00 -0.630750D-01  0.613813D+00
               226           227           228           229           230 
      1  -0.835704D+01 -0.118698D+02 -0.582999D+01 -0.117707D+02 -0.123443D+02
      2  -0.199972D+02  0.562485D+01  0.594793D+01  0.563378D+01  0.327507D+01
      3   0.101819D+02 -0.726006D+01 -0.376025D+01 -0.117398D+01 -0.362870D+01
               231           232           233           234           235 
      1  -0.187098D+02  0.109889D+01 -0.359545D+01  0.281439D+01  0.528343D+01
      2   0.425360D+01 -0.334198D+01  0.241491D+01  0.737699D+01  0.223448D+02
      3  -0.246707D+01 -0.498699D-01 -0.929016D+00 -0.276023D+01 -0.123390D+02
               236           237           238           239           240 
      1  -0.530977D+01  0.533664D+01 -0.367161D+01  0.537654D+01  0.229389D+01
      2  -0.655069D+01 -0.198020D+00 -0.289818D+01  0.371127D+01  0.114751D+01
      3   0.110083D+00  0.219508D+01  0.205255D+01 -0.143651D+01 -0.576323D+00
               241           242           243           244           245 
      1   0.246337D+01  0.278516D+00  0.430270D+01  0.695103D+01  0.100627D+02
      2  -0.737072D+00 -0.737965D-01  0.406149D+01 -0.214630D+01 -0.586254D+01
      3  -0.207775D+00 -0.267055D+00 -0.109375D+01  0.177222D+01  0.313324D+01
               246           247           248           249           250 
      1  -0.168619D+01  0.706409D+01  0.324288D+02  0.130004D+01 -0.117622D+01
      2  -0.479764D-01 -0.425156D+01 -0.553341D+01 -0.797766D+00 -0.902775D+00
      3   0.143815D+01  0.499606D+01  0.406244D+01  0.111899D+01  0.347369D+00
               251           252           253           254           255 
      1  -0.231011D+01  0.108364D+02  0.263914D+02 -0.460493D+01  0.440966D+02
      2  -0.800318D+00 -0.315398D+01  0.162724D+02 -0.206490D+02  0.226651D+02
      3   0.582810D+00  0.120023D+01 -0.618384D+01  0.640161D+01 -0.141737D+02
               256           257           258           259           260 
      1  -0.782648D+01  0.838865D+02 -0.530569D+02  0.207167D+02 -0.444672D+02
      2  -0.580669D+01 -0.131137D+01 -0.450894D+01  0.254720D+01  0.413440D+01
      3   0.309787D+01 -0.109635D+01  0.111994D+00 -0.914589D-01 -0.191870D+01
               261           262           263           264           265 
      1   0.116404D+03 -0.174019D+02  0.142146D+02 -0.448505D+02  0.486720D+01
      2  -0.739388D+01 -0.153125D+02  0.281247D+01 -0.235074D+01  0.114510D+01
      3   0.536897D+01  0.577791D+01 -0.453019D+01  0.339459D+01 -0.190802D+00
               266           267           268           269           270 
      1  -0.184799D+02  0.255905D+01 -0.503628D+01  0.120934D+02 -0.245506D+02
      2   0.971466D+00 -0.584049D+00 -0.124106D+01 -0.220142D+01 -0.567161D+00
      3   0.305465D+01 -0.275231D+01  0.874121D-02  0.413305D-01  0.826818D+00
               271           272           273           274           275 
      1  -0.115548D+02 -0.869047D+01 -0.188200D+01 -0.374333D+02  0.309726D+03
      2   0.286739D+01 -0.275526D+02  0.401869D+02 -0.486541D+01 -0.992187D+01
      3   0.360155D+01 -0.187095D+02  0.267659D+02 -0.394394D+01 -0.181606D+01
               276           277           278           279           280 
      1  -0.476178D+03  0.280663D+01 -0.415633D+02  0.133837D+03 -0.104348D+01
      2   0.141462D+01  0.113604D+02  0.479663D+01 -0.251958D+01  0.240349D+00
      3   0.715466D+01  0.102104D+02 -0.157270D+01 -0.851443D+00 -0.261394D+00
               281           282           283           284           285 
      1  -0.967766D+00  0.579074D+01 -0.539483D+00 -0.999847D+01 -0.152593D+02
      2  -0.912825D+01  0.371892D+00 -0.218377D+01 -0.132805D+00 -0.446021D+00
      3   0.352595D+01 -0.897341D+01  0.452063D+01  0.102066D+01  0.944846D+00
               286           287           288           289           290 
      1   0.158090D+01 -0.259269D+02 -0.574818D+00 -0.828407D+01  0.104620D+02
      2  -0.200177D+01  0.967349D+00 -0.107358D+00 -0.321166D+00  0.337792D+01
      3   0.291649D+01  0.458902D+00  0.699621D+00  0.448209D+00  0.489837D+00
               291           292           293           294           295 
      1  -0.206205D+02 -0.110980D+01 -0.542208D+02 -0.440851D+02 -0.181903D+02
      2   0.163648D+02 -0.239838D+00  0.607237D+01 -0.668957D+01 -0.121263D+02
      3   0.606646D+01 -0.520963D+01  0.704021D+00  0.198358D+01 -0.478811D+01
               296           297           298           299           300 
      1   0.151184D+03 -0.297323D+03 -0.175359D+01 -0.877999D+01  0.135123D+02
      2  -0.589065D+01 -0.227884D-01  0.905039D+00  0.285604D+01  0.242526D+02
      3   0.145974D-01  0.530312D+01 -0.154579D+01  0.243204D+02 -0.151572D+02
               301           302           303           304           305 
      1  -0.839281D+01  0.579631D+02 -0.113142D+03  0.163345D+02 -0.131303D+03
      2   0.525383D+01 -0.175734D+01  0.178204D+01  0.133536D+02  0.321823D+01
      3   0.134111D+02  0.876958D+00  0.176427D+01  0.102826D+02  0.409381D+00
               306           307           308           309           310 
      1   0.185937D+03 -0.140104D+01 -0.624157D-01  0.641986D+00  0.182998D+01
      2  -0.565599D+01  0.353971D-01  0.271550D+00  0.407199D-01  0.955907D+00
      3  -0.517542D+01  0.335766D+00 -0.642405D+01  0.515375D+01  0.636720D+01
               311           312           313           314           315 
      1  -0.276310D+02  0.552906D+01  0.605953D+00 -0.897770D+01  0.350673D+00
      2  -0.158634D+01 -0.143128D+00 -0.167123D+00 -0.510218D+00 -0.192227D+00
      3   0.381447D+00 -0.674165D-01  0.163105D+01  0.875859D+00 -0.559037D+00
               316           317           318           319           320 
      1   0.152509D+02 -0.375042D+01  0.523230D+01 -0.180478D+02  0.109501D+03
      2  -0.226098D+01  0.171756D+02 -0.786315D+01  0.281963D+01  0.192930D+01
      3  -0.298387D+01  0.263288D+01 -0.151007D+02  0.219829D+01 -0.110610D+01
               321           322           323           324           325 
      1  -0.238839D+03 -0.886828D+01  0.429221D+02 -0.106287D+03 -0.191643D+01
      2  -0.175128D+01 -0.143112D+02 -0.577749D+00  0.162537D+01 -0.400013D+00
      3   0.625031D+01 -0.151342D+02 -0.893055D+00  0.415165D+01 -0.338586D+00
               326           327           328           329           330 
      1  -0.382523D+00  0.135737D+01 -0.295232D+00  0.166467D+01 -0.286704D+01
      2  -0.324722D+01  0.268411D+01  0.262311D+01 -0.506723D+00  0.402608D+00
      3  -0.230462D+01  0.208970D+01  0.268853D+01 -0.305840D+00  0.552947D+00
               331           332           333           334           335 
      1   0.207701D+01 -0.617017D+01  0.241886D+02  0.369967D+02  0.327468D+01
      2  -0.504990D+01  0.589266D+00 -0.494716D+00 -0.162740D+01  0.762512D+01
      3  -0.421339D+01  0.789476D+00 -0.181008D+01 -0.587391D+00 -0.584846D+01
               336           337           338           339           340 
      1  -0.147307D+02  0.148902D+02 -0.133987D+02  0.217246D+03 -0.120282D+02
      2  -0.204340D+02 -0.797405D+01 -0.100518D+01  0.169706D+01 -0.648649D+01
      3  -0.358322D+01 -0.519601D+01 -0.822734D+00 -0.376138D+01 -0.732758D+00
               341           342           343           344           345 
      1   0.101385D+03 -0.108577D+03 -0.541518D+01 -0.184441D+00 -0.287657D+00
      2   0.186459D+01 -0.388241D+00  0.451931D+00 -0.221366D+01  0.483837D+01
      3   0.425212D+00  0.411835D+01 -0.296325D+00  0.639309D-01 -0.689137D+01
               346           347           348           349           350 
      1   0.450988D+00  0.268434D+02  0.238219D+02  0.242891D+01  0.149813D+02
      2  -0.223708D+01  0.717571D+00  0.548993D+00 -0.368425D+01  0.406781D+00
      3   0.595292D+00 -0.611069D+00 -0.944264D+00 -0.691543D-02 -0.365642D+00
               351 
      1   0.306762D+02
      2   0.199882D-01
      3  -0.879220D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.339703D+02 -0.413389D+00  0.000000D+00  0.121469D+01  0.118793D+02
      2  -0.220877D+02 -0.362926D+01  0.000000D+00 -0.610272D+00 -0.169703D+02
      3  -0.118826D+02  0.404265D+01  0.000000D+00 -0.604422D+00  0.509098D+01
      4   0.138415D+01  0.289745D+01  0.000000D+00 -0.933536D+01  0.883762D+00
      5   0.000000D+00  0.000000D+00  0.444856D+00  0.000000D+00  0.000000D+00
      6   0.000000D+00  0.000000D+00 -0.294830D+00  0.000000D+00  0.000000D+00
                 6             7             8             9            10 
      1   0.000000D+00  0.000000D+00  0.000000D+00  0.344225D+02  0.439540D+01
      2   0.000000D+00  0.000000D+00  0.000000D+00 -0.427263D+01 -0.587151D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.301499D+02  0.147611D+01
      4   0.000000D+00  0.000000D+00  0.000000D+00  0.575547D+01  0.842324D-01
      5   0.404159D+00  0.142677D+01  0.548783D+01  0.000000D+00  0.204062D+01
      6  -0.239522D+02  0.106729D+02 -0.837185D+02  0.000000D+00 -0.504124D+01
                11            12            13            14            15 
      1  -0.617460D+00  0.203519D+01 -0.359538D+01  0.142459D+02  0.162545D+02
      2   0.474110D+01 -0.222646D+00  0.176612D+01 -0.672904D+01 -0.626114D+01
      3  -0.412364D+01 -0.181255D+01  0.182927D+01 -0.751683D+01 -0.999331D+01
      4  -0.260656D+01  0.100751D+01  0.835943D+01  0.229363D+01  0.381251D+01
      5  -0.641264D+01 -0.106350D+01  0.331688D+01  0.270058D+01  0.248646D+01
      6   0.434896D+01 -0.778013D+01  0.617182D+01 -0.455650D+02 -0.605576D+02
                16            17            18            19            20 
      1   0.174189D+01  0.339963D+02 -0.183558D+02  0.747141D+01  0.457178D+00
      2   0.437199D+01 -0.758831D+02 -0.364206D+02 -0.909376D+01  0.966846D+01
      3  -0.611388D+01  0.418868D+02  0.547765D+02  0.162235D+01 -0.101256D+02
      4   0.338698D+01  0.447371D+01 -0.554429D+01  0.298052D+01 -0.624855D+01
      5  -0.774532D+01  0.306612D+01 -0.638446D+01  0.598757D+00  0.715151D+01
      6  -0.609790D+01 -0.572245D+02  0.120380D+03 -0.158348D+02  0.181726D+01
                21            22            23            24            25 
      1   0.729138D+01 -0.110536D+02  0.674044D+02  0.107502D+03 -0.609704D+01
      2   0.128377D+01  0.120636D+02 -0.609988D+02 -0.105281D+03  0.902317D+01
      3  -0.857515D+01 -0.100999D+01 -0.640559D+01 -0.222117D+01 -0.292613D+01
      4  -0.644915D+01  0.747769D+01  0.146263D+02  0.205702D+02  0.124002D+01
      5   0.121768D+02  0.161925D+02  0.103681D+02  0.146772D+02  0.149018D+02
      6  -0.293907D+02  0.374260D+02 -0.266866D+03 -0.397493D+03  0.107941D+02
                26            27            28            29            30 
      1   0.976993D+01  0.243398D+02  0.747141D+01  0.457178D+00 -0.729138D+01
      2  -0.278186D+02 -0.587059D+02 -0.909376D+01  0.966846D+01 -0.128377D+01
      3   0.180487D+02  0.343662D+02  0.162235D+01 -0.101256D+02  0.857515D+01
      4   0.267484D+01  0.538269D+01  0.298052D+01 -0.624855D+01  0.644915D+01
      5  -0.773608D+01 -0.416820D+01 -0.598757D+00 -0.715151D+01  0.121768D+02
      6  -0.620519D+01 -0.117589D+03  0.158348D+02 -0.181726D+01 -0.293907D+02
                31            32            33            34            35 
      1  -0.110536D+02  0.674044D+02 -0.107502D+03  0.609704D+01 -0.976993D+01
      2   0.120636D+02 -0.609988D+02  0.105281D+03 -0.902317D+01  0.278186D+02
      3  -0.100999D+01 -0.640559D+01  0.222117D+01  0.292613D+01 -0.180487D+02
      4   0.747769D+01  0.146263D+02 -0.205702D+02 -0.124002D+01 -0.267484D+01
      5  -0.161925D+02 -0.103681D+02  0.146772D+02  0.149018D+02 -0.773608D+01
      6  -0.374260D+02  0.266866D+03 -0.397493D+03  0.107941D+02 -0.620519D+01
                36            37            38            39            40 
      1   0.243398D+02  0.439540D+01 -0.617460D+00 -0.203519D+01 -0.359538D+01
      2  -0.587059D+02 -0.587151D+01  0.474110D+01  0.222646D+00  0.176612D+01
      3   0.343662D+02  0.147611D+01 -0.412364D+01  0.181255D+01  0.182927D+01
      4   0.538269D+01  0.842324D-01 -0.260656D+01 -0.100751D+01  0.835943D+01
      5   0.416820D+01 -0.204062D+01  0.641264D+01 -0.106350D+01 -0.331688D+01
      6   0.117589D+03  0.504124D+01 -0.434896D+01 -0.778013D+01 -0.617182D+01
                41            42            43            44            45 
      1   0.142459D+02 -0.162545D+02 -0.174189D+01 -0.339963D+02 -0.183558D+02
      2  -0.672904D+01  0.626114D+01 -0.437199D+01  0.758831D+02 -0.364206D+02
      3  -0.751683D+01  0.999331D+01  0.611388D+01 -0.418868D+02  0.547765D+02
      4   0.229363D+01 -0.381251D+01 -0.338698D+01 -0.447371D+01 -0.554429D+01
      5  -0.270058D+01  0.248646D+01 -0.774532D+01  0.306612D+01  0.638446D+01
      6   0.455650D+02 -0.605576D+02 -0.609790D+01 -0.572245D+02 -0.120380D+03
                46            47            48            49            50 
      1   0.632519D+01  0.189317D+01 -0.814259D+01  0.219387D+01 -0.247875D+02
      2  -0.248775D+02 -0.903941D+01 -0.472879D+01 -0.118244D+02  0.101406D+03
      3   0.185524D+02  0.714623D+01  0.128714D+02  0.963055D+01 -0.766181D+02
      4  -0.517638D+00  0.627259D+01  0.260946D+02 -0.113869D+02 -0.515167D+01
      5  -0.541015D+01  0.887295D+01  0.563240D+02 -0.162233D+02 -0.123252D+01
      6   0.236646D+02 -0.212207D+01  0.169572D+02  0.698341D+01  0.429247D+02
                51            52            53            54            55 
      1   0.182393D+02 -0.574945D+00 -0.302784D+02  0.910986D+01  0.574997D+00
      2   0.985663D+02 -0.380578D+01  0.537609D+02  0.243796D+01 -0.170138D+01
      3  -0.116806D+03  0.438073D+01 -0.234825D+02 -0.115478D+02  0.112638D+01
      4   0.443206D+01  0.119880D+00 -0.306830D+01  0.556326D+01  0.375826D+00
      5   0.117326D+02  0.118950D+02 -0.347755D+01  0.636633D+01  0.587462D+00
      6  -0.164557D+03  0.422425D+01  0.441899D+02 -0.673576D+02 -0.499393D+01
                56            57            58            59            60 
      1   0.426630D+00  0.140633D+01  0.512395D-01 -0.192431D+01  0.464949D+01
      2  -0.393242D+00  0.184222D+01 -0.126244D+01 -0.131875D+02  0.205285D+02
      3  -0.333887D-01 -0.324854D+01  0.121120D+01  0.151118D+02 -0.251780D+02
      4  -0.514324D+00 -0.301896D+01  0.316495D+00  0.692273D+00 -0.100797D+01
      5  -0.323497D+01 -0.398445D+01 -0.400630D+01 -0.610852D+00  0.146137D+01
      6  -0.964851D+00 -0.957886D+00 -0.728500D+00 -0.612525D+01  0.346916D+01
                61            62            63            64            65 
      1   0.347672D+00  0.134433D+01 -0.185342D+02 -0.309404D+01 -0.558666D+01
      2   0.259006D+01  0.117619D+02 -0.420143D+02 -0.601928D+01  0.327966D+00
      3  -0.293773D+01 -0.131063D+02  0.605485D+02  0.911331D+01  0.525869D+01
      4   0.975601D+00 -0.584996D+00  0.245504D+00 -0.800223D+01  0.315106D+02
      5   0.732182D+01  0.460261D+00 -0.447296D+01 -0.881128D+01  0.292524D+02
      6  -0.868071D+00  0.765548D+01  0.605890D+01  0.475229D+02  0.524413D+01
                66            67            68            69            70 
      1  -0.782317D+01  0.458519D+00  0.107907D+02 -0.365270D+02 -0.578042D+01
      2   0.397712D+01  0.680976D+01 -0.767052D+02 -0.567802D+02 -0.409297D+01
      3   0.384605D+01 -0.726827D+01  0.659145D+02  0.933073D+02  0.987339D+01
      4   0.371729D+02  0.705992D+01  0.354619D+01 -0.530303D+01  0.295325D+02
      5   0.470878D+02  0.681995D+01  0.116783D+01 -0.864173D+01  0.279616D+02
      6   0.420005D+01 -0.886512D+01  0.825874D+01  0.201866D+03  0.875461D+01
                71            72            73            74            75 
      1  -0.256427D+02  0.119487D+02 -0.134810D+01  0.425839D+01  0.570509D+01
      2   0.103263D+03  0.350591D+02  0.415138D+00 -0.999282D+00 -0.465475D-01
      3  -0.776199D+02 -0.470078D+02  0.932964D+00 -0.325911D+01 -0.565854D+01
      4  -0.204344D+01  0.691065D+01 -0.994032D+00  0.733975D+00 -0.371683D+00
      5   0.280623D+01  0.973181D+01 -0.117412D+01  0.387890D+00  0.802417D-01
      6   0.467157D+02 -0.797663D+02 -0.276762D-01 -0.870066D+01 -0.111889D+02
                76            77            78            79            80 
      1   0.240203D+01 -0.315899D+02 -0.311712D+02  0.375433D+01 -0.372099D+02
      2  -0.148874D+01  0.207576D+02  0.160061D+02  0.120405D+01  0.398720D+01
      3  -0.913285D+00  0.108322D+02  0.151651D+02 -0.495838D+01  0.332227D+02
      4   0.561913D+01 -0.501890D+01 -0.484472D+01  0.709267D+01 -0.520410D+01
      5   0.460197D+01 -0.480379D+01 -0.491804D+01  0.957127D+01 -0.670362D+01
      6  -0.591056D+01  0.596621D+02  0.593190D+02 -0.944867D+01  0.718257D+02
                81            82            83            84            85 
      1  -0.579249D+02 -0.266262D+01 -0.555079D+01  0.370764D+01  0.180970D+01
      2  -0.122347D+02  0.345320D+02  0.750272D+01  0.749418D+00 -0.809667D+00
      3   0.701595D+02 -0.318694D+02 -0.195193D+01 -0.445705D+01 -0.100003D+01
      4  -0.754981D+01 -0.588434D+01  0.689040D+02  0.257727D+02  0.282017D+02
      5  -0.115580D+02 -0.300801D+00  0.245128D+02  0.738262D+01  0.100208D+02
      6   0.109050D+03  0.296059D+02 -0.248604D+01 -0.171659D+02 -0.102525D+02
                86            87            88            89            90 
      1  -0.279870D+02 -0.508385D+02  0.795182D+01 -0.796575D+01 -0.515107D+02
      2   0.334325D+02  0.447107D+02  0.938817D+00 -0.452982D+02  0.148046D+02
      3  -0.544554D+01  0.612774D+01 -0.889063D+01  0.532639D+02  0.367061D+02
      4  -0.226135D+01 -0.730345D+01 -0.182631D+02  0.130045D+01 -0.107293D+02
      5  -0.348700D+01 -0.707828D+01 -0.228067D+02 -0.293907D+01 -0.118582D+02
      6   0.108122D+03  0.152059D+03 -0.157356D+02  0.570004D+02  0.213451D+03
                91            92            93            94            95 
      1  -0.470986D+00  0.232578D+01  0.785059D+00  0.136364D+01 -0.561809D+02
      2   0.127948D+01 -0.490906D+01 -0.105668D+01 -0.569690D+01  0.146035D+03
      3  -0.808494D+00  0.258327D+01  0.271625D+00  0.433326D+01 -0.898546D+02
      4  -0.163963D+00 -0.169347D+01 -0.487553D+01  0.112324D+02 -0.843165D+01
      5   0.154479D+00 -0.152282D+01 -0.533276D+00  0.235305D+01 -0.298609D+00
      6  -0.347370D+01 -0.265243D+01 -0.117542D+01 -0.818341D+00  0.329674D+02
                96            97            98            99           100 
      1  -0.171632D+01 -0.220954D-01  0.791131D+01 -0.539169D+01  0.143880D+02
      2   0.532600D+01  0.837679D+00 -0.333490D+02  0.859710D+01  0.155608D+01
      3  -0.360967D+01 -0.815584D+00  0.254377D+02 -0.320541D+01 -0.159441D+02
      4   0.133966D-01 -0.238639D+01  0.454332D+00 -0.116781D+01  0.201523D+01
      5   0.785165D-02  0.884493D+00 -0.118021D+01 -0.387967D+00 -0.111686D+00
      6   0.183578D+01 -0.115736D+01  0.120524D+02  0.629956D+01 -0.123379D+02
               101           102           103           104           105 
      1  -0.611179D+01 -0.970295D+01 -0.192642D+01  0.312454D+02  0.370496D+02
      2   0.672338D+01  0.827288D+01  0.561244D+01 -0.499388D+02 -0.689439D+02
      3  -0.611585D+00  0.143007D+01 -0.368602D+01  0.186933D+02  0.318943D+02
      4   0.606885D+01 -0.130085D+02 -0.106925D+02  0.730396D+01  0.563970D+01
      5   0.206319D+01  0.257971D+01 -0.112802D+01  0.398488D+01  0.452103D+01
      6   0.150581D+02  0.299505D+02  0.874486D+01 -0.103438D+03 -0.950261D+02
               106           107           108           109           110 
      1  -0.735027D+01  0.392076D+02  0.514128D+02  0.131014D+02  0.907344D+00
      2   0.639367D+01 -0.383277D+02 -0.541483D+02  0.434206D+01 -0.286778D+01
      3   0.956602D+00 -0.879898D+00  0.273552D+01 -0.174435D+02  0.196043D+01
      4   0.715851D+01  0.782991D+01  0.101972D+02  0.341046D+01  0.103259D+02
      5   0.201322D+02  0.774138D+01  0.124553D+02  0.268126D+01 -0.634465D+01
      6   0.187928D+02 -0.141915D+03 -0.263913D+03 -0.157932D+02 -0.342270D+00
               111           112           113           114           115 
      1  -0.426407D+01  0.918596D+01 -0.595900D+02 -0.102630D+03  0.357128D+01
      2   0.204042D+01 -0.935495D+01  0.555597D+02  0.113594D+03 -0.253358D+01
      3   0.222364D+01  0.168983D+00  0.403028D+01 -0.109642D+02 -0.103770D+01
      4  -0.202965D+02 -0.505884D+01 -0.141980D+02 -0.167829D+02 -0.205378D+02
      5  -0.243039D+01 -0.127196D+02 -0.108925D+02 -0.180959D+02 -0.188759D+02
      6   0.944479D+01 -0.300844D+02  0.259998D+03  0.374072D+03 -0.686011D+01
               116           117           118           119           120 
      1  -0.234559D+02 -0.107406D+02 -0.121714D+01  0.147071D+01  0.320088D+01
      2   0.169256D+02  0.310671D+02  0.337828D+01  0.120494D+01 -0.227855D+01
      3   0.653031D+01 -0.203265D+02 -0.216115D+01 -0.267565D+01 -0.922331D+00
      4  -0.470236D+00 -0.265321D+01  0.530580D+00  0.744496D+01 -0.187216D+01
      5  -0.459848D+01 -0.596928D+01 -0.388389D+00 -0.162549D+01  0.298049D+01
      6   0.599733D+02  0.140165D+03 -0.218056D+01 -0.475942D+01 -0.666255D+01
               121           122           123           124           125 
      1  -0.340218D+00 -0.130807D+02  0.104258D+02  0.524409D+00  0.438134D+01
      2   0.157366D+01  0.397681D+02 -0.275274D+02 -0.808781D+00 -0.146991D+02
      3  -0.123345D+01 -0.266874D+02  0.171016D+02  0.284372D+00  0.103177D+02
      4   0.775936D+01  0.308747D+01 -0.132452D+01 -0.362497D+01 -0.200736D+01
      5  -0.260422D+01  0.402136D+00 -0.410751D+00  0.206561D+01 -0.564098D+00
      6  -0.639953D+00 -0.355894D+02  0.295473D+02 -0.840203D+00  0.339099D+02
               126           127           128           129           130 
      1  -0.147893D+02 -0.201975D+02  0.142652D+02  0.378807D+02  0.561979D+01
      2   0.157440D+02  0.187302D+02 -0.256622D+02 -0.379791D+02 -0.494923D+01
      3  -0.954779D+00  0.146724D+01  0.113969D+02  0.983131D-01 -0.670564D+00
      4   0.610644D+00 -0.102283D+02  0.712188D+01  0.806546D+01  0.183989D+01
      5  -0.590662D+00  0.316016D+02 -0.168975D+02 -0.167870D+02 -0.104313D+02
      6  -0.111610D+02  0.137840D+02 -0.236197D+02 -0.252850D+02 -0.116099D+02
               131           132           133           134           135 
      1   0.483362D+00 -0.225987D+02  0.982207D+01 -0.170158D+02 -0.187119D+02
      2   0.714696D+01  0.126042D+02 -0.834794D+01  0.868673D+01  0.507929D+02
      3  -0.763032D+01  0.999441D+01 -0.147413D+01  0.832911D+01 -0.320810D+02
      4  -0.454559D+00 -0.725787D+01 -0.842390D+00 -0.483399D+01 -0.578637D+01
      5  -0.907905D+00  0.629953D+01 -0.107962D+02  0.758311D+01  0.253030D+01
      6   0.779643D+01  0.274469D+02 -0.160443D+02  0.316478D+02  0.114552D+03
               136           137           138           139           140 
      1   0.396338D+02 -0.128282D+02 -0.230771D+02 -0.316370D+01  0.520147D+01
      2  -0.261933D+02  0.161454D+02  0.353908D+02  0.271700D+01 -0.335465D+01
      3  -0.134405D+02 -0.331716D+01 -0.123137D+02  0.446706D+00 -0.184682D+01
      4   0.967288D+01  0.358304D-01 -0.752265D+01  0.516759D+01 -0.359500D-02
      5  -0.311921D+02  0.902521D+01  0.234280D+02  0.328749D+01 -0.413282D+01
      6  -0.141975D+02  0.328443D+01  0.401525D+02 -0.203712D+01 -0.218949D+01
               141           142           143           144           145 
      1   0.417182D+01  0.870623D+00 -0.634584D+00  0.590348D+01 -0.764154D+01
      2  -0.134611D+01  0.521761D+01  0.156312D+01 -0.130872D+02 -0.597063D+01
      3  -0.282571D+01 -0.608824D+01 -0.928532D+00  0.718370D+01  0.136122D+02
      4  -0.204372D+01  0.808987D-02  0.584244D+00  0.274533D+01  0.187502D+02
      5  -0.181691D+01  0.787193D+01 -0.174300D+01 -0.709067D+01 -0.408544D+02
      6   0.697679D+01  0.403514D+01 -0.389607D+01 -0.270826D+02  0.139261D+02
               146           147           148           149           150 
      1   0.373152D+01 -0.130989D+02  0.439915D+01  0.592384D+01  0.102062D+02
      2  -0.677643D+01 -0.388957D+01 -0.960431D+01 -0.185094D+02  0.322823D+02
      3   0.304492D+01  0.169885D+02  0.520516D+01  0.125856D+02 -0.424885D+02
      4  -0.881915D+01  0.271110D+01 -0.579421D+01 -0.123283D+02  0.135574D+01
      5   0.133884D+02 -0.113686D+01  0.107516D+02  0.144749D+02 -0.169255D+01
      6   0.125245D+02 -0.348059D+00  0.107704D+02  0.404909D+02  0.148357D+01
               151           152           153           154           155 
      1  -0.297404D+01  0.100527D+02 -0.276804D+01  0.112260D+01 -0.257021D+01
      2  -0.469523D+01  0.153607D+02 -0.306468D+01  0.541760D+01  0.993927D+01
      3   0.766927D+01 -0.254134D+02  0.583272D+01 -0.654020D+01 -0.736906D+01
      4  -0.457363D+00  0.835963D+00 -0.491956D+01  0.582111D+01  0.120097D+02
      5   0.288862D+01 -0.170341D+01  0.124950D+02 -0.441910D+01 -0.122513D+02
      6  -0.275840D+01  0.253609D+01 -0.441054D+02 -0.125096D+02 -0.171297D+02
               156           157           158           159           160 
      1   0.553729D+01 -0.294723D+01 -0.162698D+02  0.908935D+01  0.247801D+01
      2   0.382304D+01  0.814818D+01  0.391350D+02 -0.395597D+01  0.250379D+01
      3  -0.936033D+01 -0.520096D+01 -0.228652D+02 -0.513338D+01 -0.498180D+01
      4  -0.392291D+01  0.906594D+01  0.121918D+02 -0.321190D+01 -0.708047D+00
      5   0.539850D+01 -0.860019D+01 -0.119115D+02  0.368415D+01  0.204979D+01
      6   0.826285D+01 -0.114533D+02 -0.554703D+02  0.200450D+02  0.343017D+01
               161           162           163           164           165 
      1   0.497977D+01 -0.524673D+01  0.212796D+02 -0.328925D+01 -0.346634D+01
      2   0.174063D+01  0.414745D+01 -0.523754D+01 -0.282909D+01 -0.102769D+02
      3  -0.672040D+01  0.109928D+01 -0.160421D+02  0.611834D+01  0.137433D+02
      4  -0.919991D+00  0.420630D+01 -0.249413D+02  0.109179D+02 -0.560402D+01
      5   0.174409D+01 -0.656996D+01  0.443326D+02 -0.124230D+02  0.133516D+02
      6   0.124894D+02 -0.616725D+01 -0.164818D+02  0.111140D+02 -0.118038D+02
               166           167           168           169           170 
      1  -0.132641D+01  0.158247D+01 -0.643577D+00 -0.362868D+01 -0.887873D+00
      2  -0.212511D+01  0.424674D+01 -0.526444D+01 -0.412420D+01  0.496683D+00
      3   0.345152D+01 -0.582921D+01  0.590801D+01  0.775288D+01  0.391190D+00
      4   0.744983D+01 -0.464420D+01  0.224312D+01  0.308373D+00 -0.181764D+00
      5  -0.580184D+01  0.696822D+01 -0.305137D+01  0.494114D+01 -0.891369D+00
      6   0.714347D+01 -0.906897D+01  0.289183D+01 -0.337657D+01  0.137095D+01
               171           172           173           174           175 
      1   0.168851D+01 -0.785193D+01 -0.656417D+01  0.239363D+02 -0.303716D+01
      2  -0.159645D+01  0.167027D+02 -0.141027D+01  0.167368D+02 -0.324334D+00
      3  -0.920644D-01 -0.885081D+01  0.797444D+01 -0.406731D+02  0.336149D+01
      4  -0.398127D+01 -0.911635D+01  0.219501D+00  0.383451D+01  0.693365D-01
      5   0.787878D+01  0.645069D+02  0.418008D+01 -0.182872D+02 -0.241803D+01
      6   0.448976D+01  0.536618D+01 -0.184325D+02  0.157393D+02 -0.161142D+02
               176           177           178           179           180 
      1   0.505059D+01 -0.328595D+02  0.109988D+02 -0.247857D+02  0.237272D+02
      2   0.389280D+01 -0.391790D+02  0.108030D+02 -0.299517D+02  0.103701D+02
      3  -0.894338D+01  0.720386D+02 -0.218018D+02  0.547375D+02 -0.340973D+02
      4   0.353351D+01 -0.291299D+01  0.113370D+01 -0.111672D+01  0.526873D+01
      5  -0.171888D+02  0.564033D+01 -0.749251D+01  0.382076D+01 -0.256230D+02
      6  -0.146335D+02 -0.205625D+02  0.746762D+01 -0.165023D+02  0.604877D+02
               181           182           183           184           185 
      1   0.196674D+02  0.187430D+01  0.141712D+01 -0.256279D+00  0.114365D+01
      2  -0.270457D+02  0.591590D+00  0.203160D+02  0.161173D+01 -0.248688D+01
      3   0.737828D+01 -0.246589D+01 -0.217331D+02 -0.135545D+01  0.134323D+01
      4   0.124207D+02  0.532234D+01 -0.549237D+01  0.601928D+01  0.173476D+01
      5  -0.758502D+02 -0.837753D+01  0.352125D+02  0.135138D+01 -0.813895D+01
      6  -0.944696D+01 -0.117052D+02  0.451424D+01 -0.830679D+01  0.840144D+00
               186           187           188           189           190 
      1   0.397870D+01  0.363290D+01  0.388592D+01 -0.287941D+01 -0.562466D+01
      2   0.251133D+01  0.854305D+01  0.408471D+01 -0.965717D+01 -0.107174D+02
      3  -0.649003D+01 -0.121759D+02 -0.797063D+01  0.125366D+02  0.163421D+02
      4  -0.184068D+01 -0.478894D+00 -0.408250D+00  0.148809D+01 -0.183950D+01
      5   0.228102D-01  0.119175D+02  0.497858D+00 -0.154387D+02  0.464576D+01
      6   0.850288D+01  0.197805D+01  0.437641D+01 -0.896572D+01 -0.107793D+02
               191           192           193           194           195 
      1   0.513663D+01 -0.162102D+02  0.284433D+01 -0.188418D+02  0.290982D+02
      2   0.314570D+01 -0.187063D+02  0.864386D+00 -0.850413D+01  0.220713D+02
      3  -0.828233D+01  0.349166D+02 -0.370872D+01  0.273460D+02 -0.511695D+02
      4   0.340590D+01 -0.580765D+01  0.308947D+01 -0.189333D+01  0.163898D+01
      5  -0.908424D+01  0.246918D+02 -0.621116D+01  0.776990D+01 -0.502992D+01
      6   0.130247D+02 -0.173158D+02  0.807966D+01 -0.322912D+02  0.473514D+02
               196           197           198           199           200 
      1  -0.730946D+01  0.214723D+02 -0.629508D+02 -0.785193D+01 -0.656417D+01
      2  -0.723132D+01  0.182000D+02 -0.644172D+02  0.167027D+02 -0.141027D+01
      3   0.145408D+02 -0.396724D+02  0.127368D+03 -0.885081D+01  0.797444D+01
      4  -0.280561D+01  0.113819D+01 -0.316455D+01 -0.911635D+01  0.219501D+00
      5   0.137280D+02 -0.386062D+01  0.166023D+02 -0.645069D+02 -0.418008D+01
      6  -0.655969D+01  0.337196D+02 -0.658521D+02 -0.536618D+01  0.184325D+02
               201           202           203           204           205 
      1  -0.239363D+02 -0.303716D+01  0.505059D+01  0.328595D+02 -0.109988D+02
      2  -0.167368D+02 -0.324334D+00  0.389280D+01  0.391790D+02 -0.108030D+02
      3   0.406731D+02  0.336149D+01 -0.894338D+01 -0.720386D+02  0.218018D+02
      4  -0.383451D+01  0.693365D-01  0.353351D+01  0.291299D+01 -0.113370D+01
      5  -0.182872D+02  0.241803D+01  0.171888D+02  0.564033D+01 -0.749251D+01
      6   0.157393D+02  0.161142D+02  0.146335D+02 -0.205625D+02  0.746762D+01
               206           207           208           209           210 
      1   0.247857D+02  0.237272D+02 -0.562466D+01  0.513663D+01  0.162102D+02
      2   0.299517D+02  0.103701D+02 -0.107174D+02  0.314570D+01  0.187063D+02
      3  -0.547375D+02 -0.340973D+02  0.163421D+02 -0.828233D+01 -0.349166D+02
      4   0.111672D+01  0.526873D+01 -0.183950D+01  0.340590D+01  0.580765D+01
      5   0.382076D+01  0.256230D+02 -0.464576D+01  0.908424D+01  0.246918D+02
      6  -0.165023D+02 -0.604877D+02  0.107793D+02 -0.130247D+02 -0.173158D+02
               211           212           213           214           215 
      1   0.284433D+01 -0.188418D+02 -0.290982D+02  0.730946D+01 -0.214723D+02
      2   0.864386D+00 -0.850413D+01 -0.220713D+02  0.723132D+01 -0.182000D+02
      3  -0.370872D+01  0.273460D+02  0.511695D+02 -0.145408D+02  0.396724D+02
      4   0.308947D+01 -0.189333D+01 -0.163898D+01  0.280561D+01 -0.113819D+01
      5   0.621116D+01 -0.776990D+01 -0.502992D+01  0.137280D+02 -0.386062D+01
      6  -0.807966D+01  0.322912D+02  0.473514D+02 -0.655969D+01  0.337196D+02
               216           217           218           219           220 
      1  -0.629508D+02  0.196674D+02  0.187430D+01 -0.141712D+01 -0.256279D+00
      2  -0.644172D+02 -0.270457D+02  0.591590D+00 -0.203160D+02  0.161173D+01
      3   0.127368D+03  0.737828D+01 -0.246589D+01  0.217331D+02 -0.135545D+01
      4  -0.316455D+01  0.124207D+02  0.532234D+01  0.549237D+01  0.601928D+01
      5  -0.166023D+02  0.758502D+02  0.837753D+01  0.352125D+02 -0.135138D+01
      6   0.658521D+02  0.944696D+01  0.117052D+02  0.451424D+01  0.830679D+01
               221           222           223           224           225 
      1   0.114365D+01 -0.397870D+01 -0.363290D+01 -0.388592D+01 -0.287941D+01
      2  -0.248688D+01 -0.251133D+01 -0.854305D+01 -0.408471D+01 -0.965717D+01
      3   0.134323D+01  0.649003D+01  0.121759D+02  0.797063D+01  0.125366D+02
      4   0.173476D+01  0.184068D+01  0.478894D+00  0.408250D+00  0.148809D+01
      5   0.813895D+01  0.228102D-01  0.119175D+02  0.497858D+00  0.154387D+02
      6  -0.840144D+00  0.850288D+01  0.197805D+01  0.437641D+01  0.896572D+01
               226           227           228           229           230 
      1  -0.764154D+01  0.373152D+01  0.130989D+02  0.439915D+01  0.592384D+01
      2  -0.597063D+01 -0.677643D+01  0.388957D+01 -0.960431D+01 -0.185094D+02
      3   0.136122D+02  0.304492D+01 -0.169885D+02  0.520516D+01  0.125856D+02
      4   0.187502D+02 -0.881915D+01 -0.271110D+01 -0.579421D+01 -0.123283D+02
      5   0.408544D+02 -0.133884D+02 -0.113686D+01 -0.107516D+02 -0.144749D+02
      6  -0.139261D+02 -0.125245D+02 -0.348059D+00 -0.107704D+02 -0.404909D+02
               231           232           233           234           235 
      1  -0.102062D+02  0.297404D+01 -0.100527D+02 -0.276804D+01  0.212796D+02
      2  -0.322823D+02  0.469523D+01 -0.153607D+02 -0.306468D+01 -0.523754D+01
      3   0.424885D+02 -0.766927D+01  0.254134D+02  0.583272D+01 -0.160421D+02
      4  -0.135574D+01  0.457363D+00 -0.835963D+00 -0.491956D+01 -0.249413D+02
      5  -0.169255D+01  0.288862D+01 -0.170341D+01 -0.124950D+02 -0.443326D+02
      6   0.148357D+01 -0.275840D+01  0.253609D+01  0.441054D+02  0.164818D+02
               236           237           238           239           240 
      1  -0.328925D+01  0.346634D+01 -0.132641D+01  0.158247D+01  0.643577D+00
      2  -0.282909D+01  0.102769D+02 -0.212511D+01  0.424674D+01  0.526444D+01
      3   0.611834D+01 -0.137433D+02  0.345152D+01 -0.582921D+01 -0.590801D+01
      4   0.109179D+02  0.560402D+01  0.744983D+01 -0.464420D+01 -0.224312D+01
      5   0.124230D+02  0.133516D+02  0.580184D+01 -0.696822D+01 -0.305137D+01
      6  -0.111140D+02 -0.118038D+02 -0.714347D+01  0.906897D+01  0.289183D+01
               241           242           243           244           245 
      1   0.362868D+01  0.887873D+00  0.168851D+01  0.112260D+01 -0.257021D+01
      2   0.412420D+01 -0.496683D+00 -0.159645D+01  0.541760D+01  0.993927D+01
      3  -0.775288D+01 -0.391190D+00 -0.920644D-01 -0.654020D+01 -0.736906D+01
      4  -0.308373D+00  0.181764D+00 -0.398127D+01  0.582111D+01  0.120097D+02
      5   0.494114D+01 -0.891369D+00 -0.787878D+01  0.441910D+01  0.122513D+02
      6  -0.337657D+01  0.137095D+01 -0.448976D+01  0.125096D+02  0.171297D+02
               246           247           248           249           250 
      1  -0.553729D+01 -0.294723D+01 -0.162698D+02 -0.908935D+01 -0.247801D+01
      2  -0.382304D+01  0.814818D+01  0.391350D+02  0.395597D+01 -0.250379D+01
      3   0.936033D+01 -0.520096D+01 -0.228652D+02  0.513338D+01  0.498180D+01
      4   0.392291D+01  0.906594D+01  0.121918D+02  0.321190D+01  0.708047D+00
      5   0.539850D+01  0.860019D+01  0.119115D+02  0.368415D+01  0.204979D+01
      6   0.826285D+01  0.114533D+02  0.554703D+02  0.200450D+02  0.343017D+01
               251           252           253           254           255 
      1  -0.497977D+01 -0.524673D+01 -0.201975D+02  0.142652D+02 -0.378807D+02
      2  -0.174063D+01  0.414745D+01  0.187302D+02 -0.256622D+02  0.379791D+02
      3   0.672040D+01  0.109928D+01  0.146724D+01  0.113969D+02 -0.983132D-01
      4   0.919991D+00  0.420630D+01 -0.102283D+02  0.712188D+01 -0.806546D+01
      5   0.174409D+01  0.656996D+01 -0.316016D+02  0.168975D+02 -0.167870D+02
      6   0.124894D+02  0.616725D+01 -0.137840D+02  0.236197D+02 -0.252850D+02
               256           257           258           259           260 
      1   0.561979D+01  0.483362D+00  0.225987D+02 -0.982207D+01  0.170158D+02
      2  -0.494923D+01  0.714696D+01 -0.126042D+02  0.834794D+01 -0.868673D+01
      3  -0.670564D+00 -0.763032D+01 -0.999441D+01  0.147413D+01 -0.832911D+01
      4   0.183989D+01 -0.454559D+00  0.725787D+01  0.842390D+00  0.483399D+01
      5   0.104313D+02  0.907905D+00  0.629953D+01 -0.107962D+02  0.758311D+01
      6   0.116099D+02 -0.779643D+01  0.274469D+02 -0.160443D+02  0.316478D+02
               261           262           263           264           265 
      1  -0.187119D+02  0.396338D+02 -0.128282D+02  0.230771D+02 -0.316370D+01
      2   0.507929D+02 -0.261933D+02  0.161454D+02 -0.353908D+02  0.271700D+01
      3  -0.320810D+02 -0.134405D+02 -0.331716D+01  0.123137D+02  0.446706D+00
      4  -0.578637D+01  0.967288D+01  0.358304D-01  0.752265D+01  0.516759D+01
      5  -0.253030D+01  0.311921D+02 -0.902521D+01  0.234280D+02 -0.328749D+01
      6  -0.114552D+03  0.141975D+02 -0.328443D+01  0.401525D+02  0.203712D+01
               266           267           268           269           270 
      1   0.520147D+01 -0.417182D+01 -0.870623D+00  0.634584D+00  0.590348D+01
      2  -0.335465D+01  0.134611D+01 -0.521761D+01 -0.156312D+01 -0.130872D+02
      3  -0.184682D+01  0.282571D+01  0.608824D+01  0.928532D+00  0.718370D+01
      4  -0.359500D-02  0.204372D+01 -0.808989D-02 -0.584244D+00  0.274533D+01
      5   0.413282D+01 -0.181691D+01  0.787193D+01 -0.174300D+01  0.709067D+01
      6   0.218949D+01  0.697679D+01  0.403514D+01 -0.389607D+01  0.270826D+02
               271           272           273           274           275 
      1   0.131014D+02  0.907344D+00  0.426406D+01  0.918596D+01 -0.595900D+02
      2   0.434206D+01 -0.286778D+01 -0.204042D+01 -0.935495D+01  0.555597D+02
      3  -0.174435D+02  0.196043D+01 -0.222364D+01  0.168983D+00  0.403028D+01
      4   0.341046D+01  0.103259D+02  0.202965D+02 -0.505884D+01 -0.141980D+02
      5  -0.268126D+01  0.634465D+01 -0.243039D+01  0.127196D+02  0.108925D+02
      6   0.157932D+02  0.342270D+00  0.944479D+01  0.300844D+02 -0.259998D+03
               276           277           278           279           280 
      1   0.102630D+03 -0.357128D+01  0.234559D+02 -0.107406D+02 -0.121714D+01
      2  -0.113594D+03  0.253358D+01 -0.169256D+02  0.310671D+02  0.337828D+01
      3   0.109642D+02  0.103770D+01 -0.653031D+01 -0.203265D+02 -0.216115D+01
      4   0.167829D+02  0.205378D+02  0.470236D+00 -0.265321D+01  0.530580D+00
      5  -0.180959D+02 -0.188759D+02 -0.459848D+01  0.596928D+01  0.388389D+00
      6   0.374072D+03 -0.686011D+01  0.599733D+02 -0.140165D+03  0.218056D+01
               281           282           283           284           285 
      1   0.147071D+01 -0.320088D+01 -0.340218D+00 -0.130807D+02 -0.104258D+02
      2   0.120494D+01  0.227855D+01  0.157366D+01  0.397681D+02  0.275274D+02
      3  -0.267565D+01  0.922331D+00 -0.123345D+01 -0.266874D+02 -0.171016D+02
      4   0.744496D+01  0.187216D+01  0.775936D+01  0.308747D+01  0.132452D+01
      5   0.162549D+01  0.298049D+01  0.260422D+01 -0.402136D+00 -0.410751D+00
      6   0.475942D+01 -0.666255D+01  0.639953D+00  0.355894D+02  0.295473D+02
               286           287           288           289           290 
      1  -0.524409D+00 -0.438134D+01 -0.147893D+02  0.143880D+02 -0.611179D+01
      2   0.808781D+00  0.146991D+02  0.157440D+02  0.155608D+01  0.672338D+01
      3  -0.284372D+00 -0.103177D+02 -0.954779D+00 -0.159441D+02 -0.611585D+00
      4   0.362497D+01  0.200736D+01  0.610644D+00  0.201523D+01  0.606885D+01
      5   0.206561D+01 -0.564098D+00  0.590662D+00  0.111686D+00 -0.206319D+01
      6  -0.840203D+00  0.339099D+02  0.111610D+02  0.123379D+02 -0.150581D+02
               291           292           293           294           295 
      1   0.970295D+01 -0.192642D+01  0.312454D+02 -0.370496D+02  0.735027D+01
      2  -0.827288D+01  0.561244D+01 -0.499388D+02  0.689439D+02 -0.639367D+01
      3  -0.143007D+01 -0.368602D+01  0.186933D+02 -0.318943D+02 -0.956602D+00
      4   0.130085D+02 -0.106925D+02  0.730396D+01 -0.563970D+01 -0.715851D+01
      5   0.257971D+01  0.112802D+01 -0.398488D+01  0.452103D+01  0.201322D+02
      6   0.299505D+02 -0.874486D+01  0.103438D+03 -0.950261D+02  0.187928D+02
               296           297           298           299           300 
      1  -0.392076D+02  0.514128D+02 -0.266263D+01 -0.555079D+01 -0.370764D+01
      2   0.383277D+02 -0.541483D+02  0.345320D+02  0.750272D+01 -0.749418D+00
      3   0.879898D+00  0.273552D+01 -0.318694D+02 -0.195193D+01  0.445705D+01
      4  -0.782991D+01  0.101972D+02 -0.588434D+01  0.689040D+02 -0.257727D+02
      5   0.774138D+01 -0.124553D+02  0.300801D+00 -0.245128D+02  0.738262D+01
      6  -0.141915D+03  0.263913D+03 -0.296059D+02  0.248604D+01 -0.171659D+02
               301           302           303           304           305 
      1   0.180970D+01 -0.279870D+02  0.508385D+02 -0.795182D+01  0.796575D+01
      2  -0.809667D+00  0.334325D+02 -0.447107D+02 -0.938817D+00  0.452982D+02
      3  -0.100003D+01 -0.544554D+01 -0.612774D+01  0.889063D+01 -0.532639D+02
      4   0.282017D+02 -0.226135D+01  0.730345D+01  0.182631D+02 -0.130045D+01
      5  -0.100208D+02  0.348700D+01 -0.707828D+01 -0.228067D+02 -0.293907D+01
      6   0.102525D+02 -0.108122D+03  0.152059D+03 -0.157356D+02  0.570004D+02
               306           307           308           309           310 
      1  -0.515107D+02 -0.470986D+00  0.232578D+01 -0.785059D+00  0.136364D+01
      2   0.148046D+02  0.127948D+01 -0.490906D+01  0.105668D+01 -0.569690D+01
      3   0.367061D+02 -0.808494D+00  0.258327D+01 -0.271625D+00  0.433326D+01
      4  -0.107293D+02 -0.163963D+00 -0.169347D+01  0.487553D+01  0.112324D+02
      5   0.118582D+02 -0.154479D+00  0.152282D+01 -0.533276D+00 -0.235305D+01
      6  -0.213451D+03  0.347370D+01  0.265243D+01 -0.117542D+01  0.818341D+00
               311           312           313           314           315 
      1  -0.561809D+02  0.171632D+01  0.220954D-01 -0.791131D+01 -0.539169D+01
      2   0.146035D+03 -0.532600D+01 -0.837679D+00  0.333490D+02  0.859710D+01
      3  -0.898546D+02  0.360967D+01  0.815584D+00 -0.254377D+02 -0.320541D+01
      4  -0.843165D+01 -0.133966D-01  0.238639D+01 -0.454332D+00 -0.116781D+01
      5   0.298609D+00  0.785164D-02  0.884493D+00 -0.118021D+01  0.387967D+00
      6  -0.329674D+02  0.183578D+01 -0.115736D+01  0.120524D+02 -0.629956D+01
               316           317           318           319           320 
      1  -0.309404D+01 -0.558666D+01  0.782317D+01  0.458519D+00  0.107907D+02
      2  -0.601928D+01  0.327967D+00 -0.397712D+01  0.680976D+01 -0.767052D+02
      3   0.911331D+01  0.525869D+01 -0.384605D+01 -0.726827D+01  0.659145D+02
      4  -0.800223D+01  0.315106D+02 -0.371729D+02  0.705992D+01  0.354619D+01
      5   0.881128D+01 -0.292524D+02  0.470878D+02 -0.681995D+01 -0.116783D+01
      6  -0.475229D+02 -0.524413D+01  0.420005D+01  0.886512D+01 -0.825874D+01
               321           322           323           324           325 
      1   0.365270D+02  0.578042D+01  0.256427D+02  0.119487D+02 -0.134810D+01
      2   0.567802D+02  0.409297D+01 -0.103263D+03  0.350591D+02  0.415137D+00
      3  -0.933073D+02 -0.987339D+01  0.776199D+02 -0.470078D+02  0.932964D+00
      4   0.530303D+01 -0.295325D+02  0.204344D+01  0.691065D+01 -0.994032D+00
      5  -0.864173D+01  0.279616D+02  0.280623D+01 -0.973181D+01  0.117412D+01
      6   0.201866D+03  0.875461D+01  0.467157D+02  0.797663D+02  0.276762D-01
               326           327           328           329           330 
      1   0.425839D+01 -0.570509D+01  0.240203D+01 -0.315899D+02  0.311712D+02
      2  -0.999282D+00  0.465474D-01 -0.148874D+01  0.207576D+02 -0.160061D+02
      3  -0.325911D+01  0.565854D+01 -0.913285D+00  0.108322D+02 -0.151651D+02
      4   0.733975D+00  0.371683D+00  0.561913D+01 -0.501890D+01  0.484472D+01
      5  -0.387890D+00  0.802417D-01 -0.460197D+01  0.480379D+01 -0.491804D+01
      6   0.870066D+01 -0.111889D+02  0.591056D+01 -0.596621D+02  0.593190D+02
               331           332           333           334           335 
      1  -0.375433D+01  0.372099D+02 -0.579249D+02  0.632519D+01  0.189317D+01
      2  -0.120405D+01 -0.398720D+01 -0.122347D+02 -0.248775D+02 -0.903941D+01
      3   0.495838D+01 -0.332227D+02  0.701595D+02  0.185524D+02  0.714623D+01
      4  -0.709267D+01  0.520410D+01 -0.754981D+01 -0.517638D+00  0.627259D+01
      5   0.957127D+01 -0.670362D+01  0.115580D+02  0.541015D+01 -0.887295D+01
      6  -0.944867D+01  0.718257D+02 -0.109050D+03 -0.236646D+02  0.212207D+01
               336           337           338           339           340 
      1   0.814259D+01  0.219387D+01 -0.247875D+02 -0.182393D+02  0.574945D+00
      2   0.472879D+01 -0.118244D+02  0.101406D+03 -0.985663D+02  0.380578D+01
      3  -0.128714D+02  0.963055D+01 -0.766181D+02  0.116806D+03 -0.438073D+01
      4  -0.260946D+02 -0.113869D+02 -0.515167D+01 -0.443206D+01 -0.119880D+00
      5   0.563240D+02  0.162233D+02  0.123252D+01  0.117326D+02  0.118950D+02
      6   0.169572D+02 -0.698341D+01 -0.429247D+02 -0.164557D+03  0.422425D+01
               341           342           343           344           345 
      1   0.302784D+02  0.910986D+01  0.574997D+00  0.426630D+00 -0.140633D+01
      2  -0.537609D+02  0.243796D+01 -0.170138D+01 -0.393242D+00 -0.184222D+01
      3   0.234825D+02 -0.115478D+02  0.112638D+01 -0.333887D-01  0.324854D+01
      4   0.306830D+01  0.556326D+01  0.375827D+00 -0.514324D+00  0.301896D+01
      5  -0.347755D+01 -0.636633D+01 -0.587462D+00  0.323497D+01 -0.398445D+01
      6   0.441899D+02  0.673576D+02  0.499393D+01  0.964851D+00 -0.957886D+00
               346           347           348           349           350 
      1   0.512395D-01 -0.192431D+01 -0.464949D+01 -0.347672D+00 -0.134433D+01
      2  -0.126244D+01 -0.131875D+02 -0.205285D+02 -0.259006D+01 -0.117619D+02
      3   0.121120D+01  0.151118D+02  0.251780D+02  0.293773D+01  0.131063D+02
      4   0.316495D+00  0.692273D+00  0.100797D+01 -0.975601D+00  0.584996D+00
      5   0.400630D+01  0.610852D+00  0.146137D+01  0.732182D+01  0.460261D+00
      6   0.728500D+00  0.612525D+01  0.346916D+01 -0.868071D+00  0.765548D+01
               351 
      1  -0.185342D+02
      2  -0.420143D+02
      3   0.605485D+02
      4   0.245504D+00
      5   0.447296D+01
      6  -0.605890D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep  6 15:01:41 2021, MaxMem=  8589934592 cpu:           91897.0 elap:           11488.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (B) (A) (B) (B) (A) (B) (A) (B) (A) (A)
                 (B) (B) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B)
                 (A) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (A) (B) (B) (A) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (B) (A) (A) (A) (B) (A) (B) (B) (B) (A) (B) (A)
                 (A) (B) (A) (A) (B) (A) (A) (B) (A) (B) (A) (B)
                 (A)
       Virtual   (B) (A) (A) (B) (A) (B) (A) (B) (B) (A) (B) (A)
                 (B) (B) (A) (A) (B) (A) (B) (A) (B) (B) (A) (B)
                 (A) (B) (B) (A) (A) (B) (A) (A) (A) (B) (B) (A)
                 (B) (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A)
                 (B) (A) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (B) (A) (B) (B) (A) (B) (A) (A) (B) (B) (A) (B)
                 (B) (A) (A) (A) (B) (B) (B) (A) (B) (A) (A) (B)
                 (A) (A) (B) (A) (A) (B) (A) (B) (B) (A) (A) (B)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (B)
                 (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B) (B)
                 (A) (A) (B) (A) (B) (B) (A) (B) (A) (B) (B) (A)
                 (B) (A) (A) (B) (A) (B) (B) (A) (A) (A) (B) (B)
                 (A) (B) (B) (A) (B) (A) (A) (B) (A) (A) (B) (B)
                 (A) (A) (B) (B) (A) (B) (A) (B) (A) (B) (B) (A)
                 (A) (B) (A) (B) (B) (A) (B) (B) (A) (B) (A) (B)
                 (A) (A) (B) (A) (A) (B) (B) (A) (A) (A) (B) (B)
                 (A) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A)
                 (A) (A) (B) (B) (A) (B) (B) (B) (A) (B) (B) (A)
                 (B) (A) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A)
                 (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
                 (B) (A) (B) (A) (A) (A) (B) (A) (B) (B) (B) (A)
                 (A) (B) (A) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (B) (B) (A) (A) (A) (B) (B)
                 (A) (B) (A) (B) (A) (B) (A) (B) (B) (B) (A) (A)
                 (B) (B) (A) (A) (A) (A) (B) (B) (A) (B) (A) (B)
                 (A) (B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (A)
                 (A) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (B) (A) (B) (B) (A) (A) (B) (A) (A) (B) (B) (A)
                 (B) (A) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (A) (B) (B) (B) (A) (A) (A) (B) (A) (B) (A) (B)
                 (B) (B) (A) (A) (B) (B) (A) (A) (A) (B) (A) (A)
                 (B) (A) (B) (A) (B) (B) (B) (A) (A) (B) (B) (B)
                 (A) (B) (A) (B) (A) (A) (B) (A) (B) (A) (A) (B)
                 (B) (A) (B) (B) (B) (A) (A) (A) (B) (A) (B) (B)
                 (A) (A) (B) (B) (A) (A) (B) (A) (B) (A) (A) (B)
                 (B) (B) (A) (A) (B) (A) (B) (A) (A) (B) (A) (B)
                 (A) (B) (B) (B) (A) (A) (B) (B) (A) (B) (A) (B)
                 (A) (A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (B)
                 (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (B) (B)
                 (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -300.74274 -36.04529 -31.55677 -31.55579 -31.52386
 Alpha  occ. eigenvalues --  -14.63801 -14.63797 -14.60770 -14.60769 -10.50760
 Alpha  occ. eigenvalues --  -10.50758 -10.49128 -10.49107 -10.45696 -10.45695
 Alpha  occ. eigenvalues --  -10.45518 -10.45499 -10.44656 -10.44654 -10.44111
 Alpha  occ. eigenvalues --  -10.44109 -10.42485 -10.42484 -10.41016 -10.41016
 Alpha  occ. eigenvalues --   -4.17504  -2.80300  -2.79981  -2.72831  -1.10635
 Alpha  occ. eigenvalues --   -1.08926  -1.06832  -1.04976  -0.98818  -0.91952
 Alpha  occ. eigenvalues --   -0.90717  -0.87153  -0.86808  -0.85562  -0.83456
 Alpha  occ. eigenvalues --   -0.79015  -0.77456  -0.72512  -0.72477  -0.70858
 Alpha  occ. eigenvalues --   -0.69256  -0.67926  -0.65334  -0.64811  -0.63687
 Alpha  occ. eigenvalues --   -0.63076  -0.62351  -0.60948  -0.59896  -0.59309
 Alpha  occ. eigenvalues --   -0.56138  -0.54356  -0.54335  -0.53775  -0.52673
 Alpha  occ. eigenvalues --   -0.52432  -0.50830  -0.50028  -0.49335  -0.49085
 Alpha  occ. eigenvalues --   -0.48596  -0.48387  -0.48133  -0.47283  -0.46940
 Alpha  occ. eigenvalues --   -0.45887  -0.45140  -0.44166  -0.44017  -0.43585
 Alpha  occ. eigenvalues --   -0.42984  -0.40907  -0.40408  -0.40204  -0.39520
 Alpha  occ. eigenvalues --   -0.37915  -0.33119  -0.31803  -0.28796  -0.28559
 Alpha virt. eigenvalues --    0.00958   0.02957   0.03920   0.04318   0.05125
 Alpha virt. eigenvalues --    0.05179   0.06464   0.06585   0.07651   0.07670
 Alpha virt. eigenvalues --    0.08009   0.08726   0.08760   0.09859   0.10572
 Alpha virt. eigenvalues --    0.11049   0.11105   0.12018   0.13118   0.13327
 Alpha virt. eigenvalues --    0.13953   0.14753   0.14806   0.15478   0.15920
 Alpha virt. eigenvalues --    0.16199   0.17316   0.17395   0.17713   0.18265
 Alpha virt. eigenvalues --    0.18716   0.20329   0.20485   0.20491   0.21062
 Alpha virt. eigenvalues --    0.21544   0.21658   0.22244   0.22637   0.23589
 Alpha virt. eigenvalues --    0.23793   0.23939   0.24222   0.24723   0.25213
 Alpha virt. eigenvalues --    0.25698   0.25777   0.25853   0.26141   0.26817
 Alpha virt. eigenvalues --    0.27077   0.27939   0.27950   0.28421   0.28784
 Alpha virt. eigenvalues --    0.29038   0.29462   0.30002   0.30184   0.30338
 Alpha virt. eigenvalues --    0.30358   0.30963   0.31848   0.32113   0.32413
 Alpha virt. eigenvalues --    0.33059   0.33183   0.33675   0.33818   0.33912
 Alpha virt. eigenvalues --    0.34535   0.34543   0.35217   0.35550   0.35885
 Alpha virt. eigenvalues --    0.36114   0.36350   0.36717   0.36846   0.36974
 Alpha virt. eigenvalues --    0.37405   0.37416   0.38014   0.38234   0.38510
 Alpha virt. eigenvalues --    0.38973   0.39222   0.39277   0.39595   0.39783
 Alpha virt. eigenvalues --    0.40089   0.40126   0.40570   0.40722   0.41357
 Alpha virt. eigenvalues --    0.41619   0.41724   0.41769   0.41931   0.42935
 Alpha virt. eigenvalues --    0.43064   0.43142   0.43250   0.44018   0.44189
 Alpha virt. eigenvalues --    0.44351   0.44566   0.44566   0.45597   0.46104
 Alpha virt. eigenvalues --    0.46333   0.46398   0.46564   0.47043   0.47157
 Alpha virt. eigenvalues --    0.47851   0.47964   0.48346   0.48499   0.48928
 Alpha virt. eigenvalues --    0.49442   0.50214   0.50223   0.50661   0.51030
 Alpha virt. eigenvalues --    0.51312   0.51518   0.51849   0.51963   0.52422
 Alpha virt. eigenvalues --    0.52774   0.52946   0.53239   0.53528   0.54005
 Alpha virt. eigenvalues --    0.54818   0.54867   0.55608   0.55842   0.55935
 Alpha virt. eigenvalues --    0.56068   0.56298   0.56616   0.57297   0.57532
 Alpha virt. eigenvalues --    0.57814   0.58367   0.58382   0.58881   0.59322
 Alpha virt. eigenvalues --    0.59983   0.60202   0.60570   0.60955   0.61006
 Alpha virt. eigenvalues --    0.61833   0.62317   0.62448   0.62831   0.63074
 Alpha virt. eigenvalues --    0.63126   0.63283   0.65020   0.65346   0.65858
 Alpha virt. eigenvalues --    0.65961   0.66592   0.67168   0.67545   0.67881
 Alpha virt. eigenvalues --    0.68944   0.68996   0.69107   0.69362   0.69719
 Alpha virt. eigenvalues --    0.70744   0.70889   0.71291   0.71500   0.71787
 Alpha virt. eigenvalues --    0.72568   0.72720   0.72907   0.73982   0.74388
 Alpha virt. eigenvalues --    0.74609   0.75330   0.75455   0.76235   0.76655
 Alpha virt. eigenvalues --    0.76671   0.77320   0.77639   0.78008   0.78632
 Alpha virt. eigenvalues --    0.79012   0.79025   0.80058   0.80777   0.81806
 Alpha virt. eigenvalues --    0.82414   0.82973   0.83577   0.84120   0.84700
 Alpha virt. eigenvalues --    0.84918   0.85315   0.85895   0.86399   0.87511
 Alpha virt. eigenvalues --    0.88481   0.88550   0.89368   0.89907   0.90099
 Alpha virt. eigenvalues --    0.90999   0.91428   0.91953   0.92389   0.93088
 Alpha virt. eigenvalues --    0.93367   0.94041   0.95763   0.96162   0.96873
 Alpha virt. eigenvalues --    0.97298   0.99378   0.99719   1.00664   1.01520
 Alpha virt. eigenvalues --    1.02252   1.02361   1.02693   1.03698   1.03868
 Alpha virt. eigenvalues --    1.04417   1.04664   1.05287   1.05712   1.06383
 Alpha virt. eigenvalues --    1.06522   1.07250   1.07314   1.08446   1.09017
 Alpha virt. eigenvalues --    1.10902   1.11028   1.12295   1.12873   1.12979
 Alpha virt. eigenvalues --    1.13778   1.14162   1.14229   1.15354   1.15886
 Alpha virt. eigenvalues --    1.15978   1.16788   1.16889   1.17113   1.17220
 Alpha virt. eigenvalues --    1.18076   1.18403   1.19301   1.20302   1.21403
 Alpha virt. eigenvalues --    1.21551   1.22810   1.22845   1.23317   1.24155
 Alpha virt. eigenvalues --    1.24421   1.25112   1.25519   1.26243   1.28134
 Alpha virt. eigenvalues --    1.28878   1.29903   1.31048   1.31399   1.33992
 Alpha virt. eigenvalues --    1.34518   1.35783   1.35786   1.37481   1.37688
 Alpha virt. eigenvalues --    1.39540   1.40241   1.40394   1.40815   1.40945
 Alpha virt. eigenvalues --    1.43288   1.43873   1.44935   1.45805   1.47449
 Alpha virt. eigenvalues --    1.47877   1.49675   1.50415   1.51260   1.52791
 Alpha virt. eigenvalues --    1.52900   1.55000   1.55035   1.55854   1.58221
 Alpha virt. eigenvalues --    1.58853   1.60268   1.60579   1.64607   1.64953
 Alpha virt. eigenvalues --    1.65053   1.67090   1.67660   1.68438   1.68525
 Alpha virt. eigenvalues --    1.69056   1.69977   1.70235   1.70310   1.73353
 Alpha virt. eigenvalues --    1.74617   1.75785   1.75809   1.76567   1.77692
 Alpha virt. eigenvalues --    1.78080   1.78799   1.78962   1.79772   1.81027
 Alpha virt. eigenvalues --    1.82349   1.83030   1.83529   1.85350   1.85695
 Alpha virt. eigenvalues --    1.87021   1.88044   1.88140   1.90189   1.90234
 Alpha virt. eigenvalues --    1.91549   1.93312   1.93722   1.95281   1.95819
 Alpha virt. eigenvalues --    1.96738   1.96858   1.97404   1.98316   1.99345
 Alpha virt. eigenvalues --    1.99872   2.00467   2.00748   2.01395   2.02305
 Alpha virt. eigenvalues --    2.02942   2.04378   2.04909   2.05931   2.06488
 Alpha virt. eigenvalues --    2.06958   2.07652   2.07832   2.08852   2.09115
 Alpha virt. eigenvalues --    2.10946   2.11592   2.12323   2.12499   2.14118
 Alpha virt. eigenvalues --    2.14634   2.14899   2.16135   2.16312   2.17740
 Alpha virt. eigenvalues --    2.18337   2.18462   2.19792   2.20355   2.20893
 Alpha virt. eigenvalues --    2.21986   2.22497   2.23357   2.24267   2.24570
 Alpha virt. eigenvalues --    2.24916   2.25903   2.27498   2.27928   2.30408
 Alpha virt. eigenvalues --    2.31004   2.31501   2.31707   2.31873   2.33514
 Alpha virt. eigenvalues --    2.33699   2.35100   2.36509   2.37643   2.38232
 Alpha virt. eigenvalues --    2.38855   2.40901   2.41553   2.43446   2.44180
 Alpha virt. eigenvalues --    2.46088   2.46398   2.48488   2.49500   2.49932
 Alpha virt. eigenvalues --    2.51200   2.51392   2.51537   2.52836   2.53136
 Alpha virt. eigenvalues --    2.54970   2.55043   2.57280   2.58239   2.59141
 Alpha virt. eigenvalues --    2.59404   2.60923   2.61661   2.62394   2.63603
 Alpha virt. eigenvalues --    2.64065   2.65458   2.67093   2.68048   2.68434
 Alpha virt. eigenvalues --    2.68994   2.72029   2.72340   2.74353   2.74932
 Alpha virt. eigenvalues --    2.76027   2.76805   2.79151   2.80252   2.80308
 Alpha virt. eigenvalues --    2.82355   2.82963   2.85979   2.86653   2.87814
 Alpha virt. eigenvalues --    2.88843   2.89589   2.89938   2.90375   2.95048
 Alpha virt. eigenvalues --    2.96340   2.97057   2.97478   2.97635   2.99775
 Alpha virt. eigenvalues --    3.00387   3.01305   3.03921   3.07905   3.09566
 Alpha virt. eigenvalues --    3.10930   3.14431   3.14431   3.18920   3.19766
 Alpha virt. eigenvalues --    3.20809   3.22066   3.22628   3.24535   3.25601
 Alpha virt. eigenvalues --    3.26404   3.27407   3.28787   3.30475   3.30802
 Alpha virt. eigenvalues --    3.34507   3.39732   3.43613   3.46692   3.49068
 Alpha virt. eigenvalues --    3.56390   3.62748   3.64398   3.65683   3.72177
 Alpha virt. eigenvalues --    3.72686   5.69325   5.69576   5.71436   5.73613
 Alpha virt. eigenvalues --    5.74259   5.78285   5.79055
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  Ni  27.714105   0.017847   0.031715   0.031715   0.017847   0.012531
     2  N    0.017847   6.757622  -0.237515   0.004136  -0.073281   0.386339
     3  N    0.031715  -0.237515   8.358266  -0.045299   0.004136  -0.040779
     4  N    0.031715   0.004136  -0.045299   8.358266  -0.237515  -0.006521
     5  N    0.017847  -0.073281   0.004136  -0.237515   6.757622   0.036926
     6  C    0.012531   0.386339  -0.040779  -0.006521   0.036926   7.347461
     7  H    0.047610   0.050666   0.007496   0.001173   0.000193  -0.363457
     8  C   -0.027924  -0.046558   0.022020   0.000175   0.003220  -0.976011
     9  H    0.003521   0.014998  -0.001186  -0.000008   0.000115   0.114482
    10  C    0.052105  -0.262029   0.106583  -0.000308   0.004010   0.146381
    11  H    0.003851  -0.061619   0.005484   0.000064  -0.000119   0.016238
    12  C   -0.071335   0.164975  -0.111162  -0.055074   0.028779  -1.072893
    13  C   -0.083544   0.112934  -0.493750   0.120700  -0.022059   0.064005
    14  H    0.013775   0.123242  -0.432146  -0.008507   0.000921   0.038230
    15  C   -0.114279  -0.013547  -0.106672  -0.152543  -0.001392   0.000197
    16  H    0.069666   0.002816  -0.143886  -0.118074   0.000809  -0.000284
    17  C   -0.027207  -0.003333   0.001817   0.002490   0.000086   0.000227
    18  H    0.001194  -0.000907   0.038199   0.003162  -0.000030  -0.000014
    19  H    0.001336   0.000526  -0.095553  -0.011578   0.000011   0.000077
    20  C   -0.003973   0.000098   0.024525   0.018863   0.000024   0.000001
    21  H   -0.000413  -0.000002  -0.000686   0.004193  -0.000003  -0.000001
    22  H   -0.000693  -0.000004  -0.000286  -0.000105   0.000000  -0.000000
    23  C   -0.003973   0.000024   0.018863   0.024525   0.000098  -0.000006
    24  H   -0.000693   0.000000  -0.000105  -0.000286  -0.000004  -0.000000
    25  H   -0.000413  -0.000003   0.004193  -0.000686  -0.000002  -0.000001
    26  C   -0.027207   0.000086   0.002490   0.001817  -0.003333   0.000015
    27  H    0.001336   0.000011  -0.011578  -0.095553   0.000526  -0.000002
    28  H    0.001194  -0.000030   0.003162   0.038199  -0.000907  -0.000000
    29  C   -0.114279  -0.001392  -0.152543  -0.106672  -0.013547  -0.001135
    30  H    0.069666   0.000809  -0.118074  -0.143886   0.002816   0.000678
    31  C   -0.083544  -0.022059   0.120700  -0.493750   0.112934  -0.000707
    32  H    0.013775   0.000921  -0.008507  -0.432146   0.123242  -0.000028
    33  C   -0.071335   0.028779  -0.055074  -0.111162   0.164975  -0.008524
    34  C    0.052105   0.004010  -0.000308   0.106583  -0.262029   0.000945
    35  H    0.003851  -0.000119   0.000064   0.005484  -0.061619  -0.000009
    36  C   -0.027924   0.003220   0.000175   0.022020  -0.046558   0.008272
    37  H    0.003521   0.000115  -0.000008  -0.001186   0.014998   0.000146
    38  C    0.012531   0.036926  -0.006521  -0.040779   0.386339   0.035347
    39  H    0.047610   0.000193   0.001173   0.007496   0.050666  -0.046741
               7          8          9         10         11         12
     1  Ni   0.047610  -0.027924   0.003521   0.052105   0.003851  -0.071335
     2  N    0.050666  -0.046558   0.014998  -0.262029  -0.061619   0.164975
     3  N    0.007496   0.022020  -0.001186   0.106583   0.005484  -0.111162
     4  N    0.001173   0.000175  -0.000008  -0.000308   0.000064  -0.055074
     5  N    0.000193   0.003220   0.000115   0.004010  -0.000119   0.028779
     6  C   -0.363457  -0.976011   0.114482   0.146381   0.016238  -1.072893
     7  H    2.292254  -0.973779  -0.035479   0.085946   0.006512   0.299955
     8  C   -0.973779   8.198827   0.262391  -0.954784  -0.094790   0.602056
     9  H   -0.035479   0.262391   0.878414  -0.201520  -0.003986   0.014581
    10  C    0.085946  -0.954784  -0.201520   9.657707   0.484065  -1.055243
    11  H    0.006512  -0.094790  -0.003986   0.484065   0.894140   0.052784
    12  C    0.299955   0.602056   0.014581  -1.055243   0.052784  10.352212
    13  C    0.029027  -0.056571   0.030178  -1.413540  -0.165434  -2.813746
    14  H   -0.002135   0.003085   0.002811  -0.334989  -0.070890  -0.899065
    15  C   -0.000176  -0.003301  -0.000007   0.012118   0.002290   0.003027
    16  H    0.000019   0.000214  -0.000004   0.000852   0.000063   0.029870
    17  C    0.000033   0.000144  -0.000012   0.001195   0.000362   0.007340
    18  H    0.000003   0.000040  -0.000001   0.001140   0.000098   0.014089
    19  H   -0.000001  -0.000026   0.000000  -0.000244  -0.000014   0.002699
    20  C   -0.000000   0.000002   0.000000  -0.000019  -0.000001  -0.000460
    21  H   -0.000000   0.000000   0.000000  -0.000005  -0.000000  -0.000351
    22  H    0.000000   0.000000   0.000000  -0.000001   0.000000   0.000083
    23  C   -0.000000  -0.000000   0.000000  -0.000007  -0.000001   0.000245
    24  H   -0.000000   0.000000   0.000000  -0.000000  -0.000000  -0.000003
    25  H   -0.000000   0.000000   0.000000  -0.000001  -0.000000  -0.000021
    26  C    0.000005   0.000001  -0.000000   0.000006   0.000001  -0.001104
    27  H    0.000000   0.000000  -0.000000  -0.000001   0.000000   0.000139
    28  H    0.000000   0.000000  -0.000000   0.000000   0.000000  -0.000038
    29  C   -0.000335  -0.000636   0.000014  -0.001831  -0.000043   0.017707
    30  H    0.000035  -0.000009  -0.000000   0.000261   0.000006   0.004404
    31  C    0.002890   0.000031  -0.000002  -0.000203  -0.000004  -0.002818
    32  H   -0.000015  -0.000002   0.000000   0.000011  -0.000000   0.001125
    33  C    0.007418  -0.000774  -0.000012   0.000128   0.000006   0.004981
    34  C   -0.000033  -0.000058   0.000002   0.000070  -0.000000   0.000128
    35  H    0.000002   0.000000  -0.000000  -0.000000   0.000000   0.000006
    36  C   -0.014277   0.000077   0.000009  -0.000058   0.000000  -0.000774
    37  H   -0.000338   0.000009   0.000000   0.000002  -0.000000  -0.000012
    38  C   -0.046741   0.008272   0.000146   0.000945  -0.000009  -0.008524
    39  H    0.082250  -0.014277  -0.000338  -0.000033   0.000002   0.007418
              13         14         15         16         17         18
     1  Ni  -0.083544   0.013775  -0.114279   0.069666  -0.027207   0.001194
     2  N    0.112934   0.123242  -0.013547   0.002816  -0.003333  -0.000907
     3  N   -0.493750  -0.432146  -0.106672  -0.143886   0.001817   0.038199
     4  N    0.120700  -0.008507  -0.152543  -0.118074   0.002490   0.003162
     5  N   -0.022059   0.000921  -0.001392   0.000809   0.000086  -0.000030
     6  C    0.064005   0.038230   0.000197  -0.000284   0.000227  -0.000014
     7  H    0.029027  -0.002135  -0.000176   0.000019   0.000033   0.000003
     8  C   -0.056571   0.003085  -0.003301   0.000214   0.000144   0.000040
     9  H    0.030178   0.002811  -0.000007  -0.000004  -0.000012  -0.000001
    10  C   -1.413540  -0.334989   0.012118   0.000852   0.001195   0.001140
    11  H   -0.165434  -0.070890   0.002290   0.000063   0.000362   0.000098
    12  C   -2.813746  -0.899065   0.003027   0.029870   0.007340   0.014089
    13  C   11.204066   0.655627  -0.695325  -0.083646  -0.026792  -0.084124
    14  H    0.655627   2.458650  -0.321772  -0.014389  -0.077759  -0.075831
    15  C   -0.695325  -0.321772   7.978089  -0.152046   0.073269  -0.049529
    16  H   -0.083646  -0.014389  -0.152046   1.815715  -0.121070   0.052249
    17  C   -0.026792  -0.077759   0.073269  -0.121070   5.028336   0.181422
    18  H   -0.084124  -0.075831  -0.049529   0.052249   0.181422   1.412044
    19  H    0.010284   0.008107   0.297851  -0.015019   0.134383  -0.162593
    20  C    0.018903   0.005162  -0.006361  -0.044062   0.365207  -0.134368
    21  H    0.002085   0.000884  -0.005987  -0.046925   0.027407  -0.021131
    22  H   -0.002466  -0.001067   0.030307   0.002432   0.121327  -0.018925
    23  C    0.004445   0.001210  -0.137454  -0.060411  -0.053543   0.018536
    24  H    0.000020  -0.000018   0.013532   0.002322  -0.006243  -0.001587
    25  H    0.000853   0.000082  -0.041555  -0.006638  -0.005376  -0.002988
    26  C    0.007062   0.000635  -0.035794  -0.156127  -0.001247   0.013144
    27  H   -0.000684  -0.000024  -0.032043   0.002319  -0.011953  -0.002529
    28  H   -0.001408  -0.000067   0.081821   0.009079   0.013144  -0.000249
    29  C    0.031682   0.008092  -0.359725   0.114685  -0.035794   0.081821
    30  H   -0.003076  -0.002519   0.114685   0.135457  -0.156127   0.009079
    31  C    0.005876   0.002322   0.031682  -0.003076   0.007062  -0.001408
    32  H    0.002322   0.000147   0.008092  -0.002519   0.000635  -0.000067
    33  C   -0.002818   0.001125   0.017707   0.004404  -0.001104  -0.000038
    34  C   -0.000203   0.000011  -0.001831   0.000261   0.000006   0.000000
    35  H   -0.000004  -0.000000  -0.000043   0.000006   0.000001   0.000000
    36  C    0.000031  -0.000002  -0.000636  -0.000009   0.000001   0.000000
    37  H   -0.000002   0.000000   0.000014  -0.000000  -0.000000  -0.000000
    38  C   -0.000707  -0.000028  -0.001135   0.000678   0.000015  -0.000000
    39  H    0.002890  -0.000015  -0.000335   0.000035   0.000005   0.000000
              19         20         21         22         23         24
     1  Ni   0.001336  -0.003973  -0.000413  -0.000693  -0.003973  -0.000693
     2  N    0.000526   0.000098  -0.000002  -0.000004   0.000024   0.000000
     3  N   -0.095553   0.024525  -0.000686  -0.000286   0.018863  -0.000105
     4  N   -0.011578   0.018863   0.004193  -0.000105   0.024525  -0.000286
     5  N    0.000011   0.000024  -0.000003   0.000000   0.000098  -0.000004
     6  C    0.000077   0.000001  -0.000001  -0.000000  -0.000006  -0.000000
     7  H   -0.000001  -0.000000  -0.000000   0.000000  -0.000000  -0.000000
     8  C   -0.000026   0.000002   0.000000   0.000000  -0.000000   0.000000
     9  H    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
    10  C   -0.000244  -0.000019  -0.000005  -0.000001  -0.000007  -0.000000
    11  H   -0.000014  -0.000001  -0.000000   0.000000  -0.000001  -0.000000
    12  C    0.002699  -0.000460  -0.000351   0.000083   0.000245  -0.000003
    13  C    0.010284   0.018903   0.002085  -0.002466   0.004445   0.000020
    14  H    0.008107   0.005162   0.000884  -0.001067   0.001210  -0.000018
    15  C    0.297851  -0.006361  -0.005987   0.030307  -0.137454   0.013532
    16  H   -0.015019  -0.044062  -0.046925   0.002432  -0.060411   0.002322
    17  C    0.134383   0.365207   0.027407   0.121327  -0.053543  -0.006243
    18  H   -0.162593  -0.134368  -0.021131  -0.018925   0.018536  -0.001587
    19  H    0.873173  -0.031784  -0.001058   0.009561  -0.019316  -0.003116
    20  C   -0.031784   4.688514   0.312783   0.230584   0.357826   0.033580
    21  H   -0.001058   0.312783   0.691556  -0.101849   0.039720  -0.037206
    22  H    0.009561   0.230584  -0.101849   0.910580   0.033580   0.015719
    23  C   -0.019316   0.357826   0.039720   0.033580   4.688514   0.230584
    24  H   -0.003116   0.033580  -0.037206   0.015719   0.230584   0.910580
    25  H   -0.008331   0.039720   0.006208  -0.037206   0.312783  -0.101849
    26  C   -0.011953  -0.053543  -0.005376  -0.006243   0.365207   0.121327
    27  H    0.000847  -0.019316  -0.008331  -0.003116  -0.031784   0.009561
    28  H   -0.002529   0.018536  -0.002988  -0.001587  -0.134368  -0.018925
    29  C   -0.032043  -0.137454  -0.041555   0.013532  -0.006361   0.030307
    30  H    0.002319  -0.060411  -0.006638   0.002322  -0.044062   0.002432
    31  C   -0.000684   0.004445   0.000853   0.000020   0.018903  -0.002466
    32  H   -0.000024   0.001210   0.000082  -0.000018   0.005162  -0.001067
    33  C    0.000139   0.000245  -0.000021  -0.000003  -0.000460   0.000083
    34  C   -0.000001  -0.000007  -0.000001  -0.000000  -0.000019  -0.000001
    35  H    0.000000  -0.000001  -0.000000  -0.000000  -0.000001   0.000000
    36  C    0.000000  -0.000000   0.000000   0.000000   0.000002   0.000000
    37  H   -0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
    38  C   -0.000002  -0.000006  -0.000001  -0.000000   0.000001  -0.000000
    39  H    0.000000  -0.000000  -0.000000  -0.000000  -0.000000   0.000000
              25         26         27         28         29         30
     1  Ni  -0.000413  -0.027207   0.001336   0.001194  -0.114279   0.069666
     2  N   -0.000003   0.000086   0.000011  -0.000030  -0.001392   0.000809
     3  N    0.004193   0.002490  -0.011578   0.003162  -0.152543  -0.118074
     4  N   -0.000686   0.001817  -0.095553   0.038199  -0.106672  -0.143886
     5  N   -0.000002  -0.003333   0.000526  -0.000907  -0.013547   0.002816
     6  C   -0.000001   0.000015  -0.000002  -0.000000  -0.001135   0.000678
     7  H   -0.000000   0.000005   0.000000   0.000000  -0.000335   0.000035
     8  C    0.000000   0.000001   0.000000   0.000000  -0.000636  -0.000009
     9  H    0.000000  -0.000000  -0.000000  -0.000000   0.000014  -0.000000
    10  C   -0.000001   0.000006  -0.000001   0.000000  -0.001831   0.000261
    11  H   -0.000000   0.000001   0.000000   0.000000  -0.000043   0.000006
    12  C   -0.000021  -0.001104   0.000139  -0.000038   0.017707   0.004404
    13  C    0.000853   0.007062  -0.000684  -0.001408   0.031682  -0.003076
    14  H    0.000082   0.000635  -0.000024  -0.000067   0.008092  -0.002519
    15  C   -0.041555  -0.035794  -0.032043   0.081821  -0.359725   0.114685
    16  H   -0.006638  -0.156127   0.002319   0.009079   0.114685   0.135457
    17  C   -0.005376  -0.001247  -0.011953   0.013144  -0.035794  -0.156127
    18  H   -0.002988   0.013144  -0.002529  -0.000249   0.081821   0.009079
    19  H   -0.008331  -0.011953   0.000847  -0.002529  -0.032043   0.002319
    20  C    0.039720  -0.053543  -0.019316   0.018536  -0.137454  -0.060411
    21  H    0.006208  -0.005376  -0.008331  -0.002988  -0.041555  -0.006638
    22  H   -0.037206  -0.006243  -0.003116  -0.001587   0.013532   0.002322
    23  C    0.312783   0.365207  -0.031784  -0.134368  -0.006361  -0.044062
    24  H   -0.101849   0.121327   0.009561  -0.018925   0.030307   0.002432
    25  H    0.691556   0.027407  -0.001058  -0.021131  -0.005987  -0.046925
    26  C    0.027407   5.028336   0.134383   0.181422   0.073269  -0.121070
    27  H   -0.001058   0.134383   0.873173  -0.162593   0.297851  -0.015019
    28  H   -0.021131   0.181422  -0.162593   1.412044  -0.049529   0.052249
    29  C   -0.005987   0.073269   0.297851  -0.049529   7.978089  -0.152046
    30  H   -0.046925  -0.121070  -0.015019   0.052249  -0.152046   1.815715
    31  C    0.002085  -0.026792   0.010284  -0.084124  -0.695325  -0.083646
    32  H    0.000884  -0.077759   0.008107  -0.075831  -0.321772  -0.014389
    33  C   -0.000351   0.007340   0.002699   0.014089   0.003027   0.029870
    34  C   -0.000005   0.001195  -0.000244   0.001140   0.012118   0.000852
    35  H   -0.000000   0.000362  -0.000014   0.000098   0.002290   0.000063
    36  C    0.000000   0.000144  -0.000026   0.000040  -0.003301   0.000214
    37  H    0.000000  -0.000012   0.000000  -0.000001  -0.000007  -0.000004
    38  C   -0.000001   0.000227   0.000077  -0.000014   0.000197  -0.000284
    39  H   -0.000000   0.000033  -0.000001   0.000003  -0.000176   0.000019
              31         32         33         34         35         36
     1  Ni  -0.083544   0.013775  -0.071335   0.052105   0.003851  -0.027924
     2  N   -0.022059   0.000921   0.028779   0.004010  -0.000119   0.003220
     3  N    0.120700  -0.008507  -0.055074  -0.000308   0.000064   0.000175
     4  N   -0.493750  -0.432146  -0.111162   0.106583   0.005484   0.022020
     5  N    0.112934   0.123242   0.164975  -0.262029  -0.061619  -0.046558
     6  C   -0.000707  -0.000028  -0.008524   0.000945  -0.000009   0.008272
     7  H    0.002890  -0.000015   0.007418  -0.000033   0.000002  -0.014277
     8  C    0.000031  -0.000002  -0.000774  -0.000058   0.000000   0.000077
     9  H   -0.000002   0.000000  -0.000012   0.000002  -0.000000   0.000009
    10  C   -0.000203   0.000011   0.000128   0.000070  -0.000000  -0.000058
    11  H   -0.000004  -0.000000   0.000006  -0.000000   0.000000   0.000000
    12  C   -0.002818   0.001125   0.004981   0.000128   0.000006  -0.000774
    13  C    0.005876   0.002322  -0.002818  -0.000203  -0.000004   0.000031
    14  H    0.002322   0.000147   0.001125   0.000011  -0.000000  -0.000002
    15  C    0.031682   0.008092   0.017707  -0.001831  -0.000043  -0.000636
    16  H   -0.003076  -0.002519   0.004404   0.000261   0.000006  -0.000009
    17  C    0.007062   0.000635  -0.001104   0.000006   0.000001   0.000001
    18  H   -0.001408  -0.000067  -0.000038   0.000000   0.000000   0.000000
    19  H   -0.000684  -0.000024   0.000139  -0.000001   0.000000   0.000000
    20  C    0.004445   0.001210   0.000245  -0.000007  -0.000001  -0.000000
    21  H    0.000853   0.000082  -0.000021  -0.000001  -0.000000   0.000000
    22  H    0.000020  -0.000018  -0.000003  -0.000000  -0.000000   0.000000
    23  C    0.018903   0.005162  -0.000460  -0.000019  -0.000001   0.000002
    24  H   -0.002466  -0.001067   0.000083  -0.000001   0.000000   0.000000
    25  H    0.002085   0.000884  -0.000351  -0.000005  -0.000000   0.000000
    26  C   -0.026792  -0.077759   0.007340   0.001195   0.000362   0.000144
    27  H    0.010284   0.008107   0.002699  -0.000244  -0.000014  -0.000026
    28  H   -0.084124  -0.075831   0.014089   0.001140   0.000098   0.000040
    29  C   -0.695325  -0.321772   0.003027   0.012118   0.002290  -0.003301
    30  H   -0.083646  -0.014389   0.029870   0.000852   0.000063   0.000214
    31  C   11.204066   0.655627  -2.813746  -1.413540  -0.165434  -0.056571
    32  H    0.655627   2.458650  -0.899065  -0.334989  -0.070890   0.003085
    33  C   -2.813746  -0.899065  10.352212  -1.055243   0.052784   0.602056
    34  C   -1.413540  -0.334989  -1.055243   9.657707   0.484065  -0.954784
    35  H   -0.165434  -0.070890   0.052784   0.484065   0.894140  -0.094790
    36  C   -0.056571   0.003085   0.602056  -0.954784  -0.094790   8.198827
    37  H    0.030178   0.002811   0.014581  -0.201520  -0.003986   0.262391
    38  C    0.064005   0.038230  -1.072893   0.146381   0.016238  -0.976011
    39  H    0.029027  -0.002135   0.299955   0.085946   0.006512  -0.973779
              37         38         39
     1  Ni   0.003521   0.012531   0.047610
     2  N    0.000115   0.036926   0.000193
     3  N   -0.000008  -0.006521   0.001173
     4  N   -0.001186  -0.040779   0.007496
     5  N    0.014998   0.386339   0.050666
     6  C    0.000146   0.035347  -0.046741
     7  H   -0.000338  -0.046741   0.082250
     8  C    0.000009   0.008272  -0.014277
     9  H    0.000000   0.000146  -0.000338
    10  C    0.000002   0.000945  -0.000033
    11  H   -0.000000  -0.000009   0.000002
    12  C   -0.000012  -0.008524   0.007418
    13  C   -0.000002  -0.000707   0.002890
    14  H    0.000000  -0.000028  -0.000015
    15  C    0.000014  -0.001135  -0.000335
    16  H   -0.000000   0.000678   0.000035
    17  C   -0.000000   0.000015   0.000005
    18  H   -0.000000  -0.000000   0.000000
    19  H   -0.000000  -0.000002   0.000000
    20  C    0.000000  -0.000006  -0.000000
    21  H    0.000000  -0.000001  -0.000000
    22  H    0.000000  -0.000000  -0.000000
    23  C    0.000000   0.000001  -0.000000
    24  H    0.000000  -0.000000   0.000000
    25  H    0.000000  -0.000001  -0.000000
    26  C   -0.000012   0.000227   0.000033
    27  H    0.000000   0.000077  -0.000001
    28  H   -0.000001  -0.000014   0.000003
    29  C   -0.000007   0.000197  -0.000176
    30  H   -0.000004  -0.000284   0.000019
    31  C    0.030178   0.064005   0.029027
    32  H    0.002811   0.038230  -0.002135
    33  C    0.014581  -1.072893   0.299955
    34  C   -0.201520   0.146381   0.085946
    35  H   -0.003986   0.016238   0.006512
    36  C    0.262391  -0.976011  -0.973779
    37  H    0.878414   0.114482  -0.035479
    38  C    0.114482   7.347461  -0.363457
    39  H   -0.035479  -0.363457   2.292254
 Mulliken charges:
               1
     1  Ni   0.434334
     2  N    0.011106
     3  N    0.310576
     4  N    0.310576
     5  N    0.011106
     6  C    0.308616
     7  H   -0.476720
     8  C    0.048934
     9  H   -0.079108
    10  C   -0.328711
    11  H   -0.069055
    12  C    0.484016
    13  C   -0.353088
    14  H   -0.082895
    15  C   -0.431196
    16  H   -0.275765
    17  C    0.561648
    18  H   -0.269900
    19  H    0.054558
    20  C    0.371539
    21  H    0.194758
    22  H   -0.196478
    23  C    0.371539
    24  H   -0.196478
    25  H    0.194758
    26  C    0.561648
    27  H    0.054558
    28  H   -0.269900
    29  C   -0.431196
    30  H   -0.275765
    31  C   -0.353088
    32  H   -0.082895
    33  C    0.484016
    34  C   -0.328711
    35  H   -0.069055
    36  C    0.048934
    37  H   -0.079108
    38  C    0.308616
    39  H   -0.476720
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Ni   0.434334
     2  N    0.011106
     3  N    0.310576
     4  N    0.310576
     5  N    0.011106
     6  C   -0.168105
     8  C   -0.030173
    10  C   -0.397767
    12  C    0.484016
    13  C   -0.435983
    15  C   -0.706961
    17  C    0.346305
    20  C    0.369819
    23  C    0.369819
    26  C    0.346305
    29  C   -0.706961
    31  C   -0.435983
    33  C    0.484016
    34  C   -0.397767
    36  C   -0.030173
    38  C   -0.168105
 Electronic spatial extent (au):  <R**2>=           6520.8399
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=             -0.0000    Z=             -6.3361  Tot=              6.3361
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -136.0391   YY=           -125.7685   ZZ=           -119.0055
   XY=              0.9240   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.1014   YY=              1.1692   ZZ=              7.9322
   XY=              0.9240   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             -6.9362  XYY=             -0.0000
  XXY=              0.0000  XXZ=            -15.6948  XZZ=             -0.0000  YZZ=              0.0000
  YYZ=            -30.2748  XYZ=             -2.5953
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -214.7559 YYYY=          -3535.5969 ZZZZ=          -4782.3931 XXXY=             84.3877
 XXXZ=             -0.0000 YYYX=             63.9051 YYYZ=             -0.0000 ZZZX=             -0.0000
 ZZZY=             -0.0000 XXYY=           -737.4190 XXZZ=           -922.1555 YYZZ=          -1459.3487
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=             12.3363
 N-N= 2.160849898014D+03 E-N=-9.863843154703D+03  KE= 2.333209511881D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep  6 15:01:43 2021, MaxMem=  8589934592 cpu:               6.5 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 5.94251399D-15 1.49358537D-13-2.19508104D+00
 Polarizability= 1.33441883D+02-8.65866184D+00 2.96385123D+02
                 1.57723984D-08 9.90178767D-07 3.31180958D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000   -0.0000       -4.9324   -4.9338
 2     -0.0000    0.0000        0.0000   -0.0000       80.7305   80.7333
 3      4.9324    4.9338     -115.5397 -115.5664        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        4.9378    4.9338
 5     34.8092   34.8331       -4.9378   -4.9338        0.0000   -0.0000
 6     -0.0000   -0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000      -14.8013  -14.8013
 2      0.0000    0.0000       -0.0000    0.0000      -14.8013  -14.8013
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000   -0.0000      242.1999  242.1999
 5     14.8013   14.8013     -346.6991 -346.6991       -0.0000    0.0000
 6    104.4992  104.4992      -14.8013  -14.8013        0.0000   -0.0000
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       20.3219   19.7351
 2     -0.0000   -0.0000        0.0000    0.0000     -323.8988 -322.9332
 3    -20.3077  -19.7351      462.1262  462.2655        0.0000   -0.0000
 4      0.0000   -0.0000        0.0000    0.0000      -18.9717  -19.7351
 5   -138.6108 -139.3322       17.7717   19.7351       -0.0000    0.0000
 6      0.0000    0.0000        0.0000   -0.0000        1.6076    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       78.7817   76.6716
 2      0.0000   -0.0000        0.0000   -0.0000       24.1994   33.3616
 3    -58.0486  -76.6716     -124.5156 -126.8807       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000      -82.3358  -76.6716
 5     91.5740   93.5191       85.8218   76.6716        0.0000    0.0000
 6      0.0000   -0.0000        0.0000   -0.0000        1.8282    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000   -0.0000        0.0000    0.0000     -615.8609 -616.4119
 2     -0.0000    0.0000        0.0000    0.0000     -615.3050 -616.4119
 3     -0.0000    0.0000       -0.0000    0.0000     -489.6141 -489.5345
 4      0.0000    0.0000        0.0000   -0.0000       10.7834   10.8919
 5    130.0735  126.8774     -131.1640 -132.8413        0.0000    0.0000
 6    123.0787  121.9494     -128.0351 -126.8774        0.0000   -0.0000
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.4568    0.0068    0.0070    0.0075    0.5431    5.1019
 Low frequencies ---   48.9603   55.8029   70.3860
 Diagonal vibrational polarizability:
       28.4089659      15.0434278      27.8453606
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      B                      A                      B
 Frequencies --     48.9601                55.8029                70.3859
 Red. masses --      6.0008                 3.6632                 4.0167
 Frc consts  --      0.0085                 0.0067                 0.0117
 IR Inten    --      1.2377                 0.1008                 0.0909
 RamAct Fr= 1--      2.8358                 2.0198                 7.4696
  Dep-P Fr= 1--      0.7500                 0.7147                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8336                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0000
 Beta2  Fr= 1--      0.4051                 0.2806                 1.0671
 AlphaG Fr= 1--     -0.0000                -0.0080                -0.0000
 Gamma2 Fr= 1--      1.6421                11.9593                -1.7073
 Delta2 Fr= 1--     -0.8715                 4.5171                 0.2752
 Raman1 Fr= 1--      11.343                  8.079                 29.878
 ROA1   Fr= 1--     129.759               1292.643               -155.098
 CID1   Fr= 1--      11.439                159.998                 -5.191
 Raman2 Fr= 1--       4.861                  3.368                 12.805
 ROA2   Fr= 1--      46.383                250.888                -43.177
 CID2   Fr= 1--       9.541                 74.501                 -3.372
 Raman3 Fr= 1--       9.723                  6.735                 25.610
 ROA3   Fr= 1--     129.759               1292.643               -155.098
 CID3   Fr= 1--      13.346                191.925                 -6.056
 RC180  Fr= 1--       0.714                  0.667                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.18   0.00  -0.00     0.00   0.00   0.01    -0.03  -0.00  -0.00
     2   7     0.09   0.00  -0.00    -0.01   0.00  -0.00    -0.06  -0.00  -0.00
     3   7     0.13  -0.00   0.00     0.09  -0.00   0.01     0.09  -0.00  -0.00
     4   7     0.13  -0.00  -0.00    -0.09   0.00   0.01     0.09  -0.00   0.00
     5   7     0.09   0.00   0.00     0.01  -0.00  -0.00    -0.06  -0.00   0.00
     6   6     0.00  -0.00  -0.01    -0.14   0.00  -0.01    -0.17  -0.00  -0.01
     7   1     0.07  -0.00  -0.01    -0.22   0.00  -0.01    -0.31  -0.01  -0.02
     8   6    -0.19  -0.01  -0.02    -0.17   0.00  -0.02    -0.07   0.00  -0.01
     9   1    -0.29  -0.02  -0.03    -0.26   0.00  -0.03    -0.12   0.00  -0.02
    10   6    -0.22  -0.01  -0.02    -0.05   0.00  -0.01     0.11   0.00  -0.00
    11   1    -0.36  -0.02  -0.03    -0.03   0.00  -0.02     0.23   0.01  -0.00
    12   6    -0.04  -0.01  -0.01     0.05   0.00  -0.00     0.11   0.00   0.00
    13   6    -0.03  -0.00  -0.01     0.11  -0.00  -0.00     0.18  -0.00   0.01
    14   1    -0.16  -0.00  -0.02     0.14  -0.01  -0.00     0.28  -0.00   0.01
    15   6     0.05   0.01  -0.02     0.07  -0.03   0.01     0.06   0.00  -0.01
    16   1     0.05   0.01  -0.08     0.05  -0.14   0.04     0.06   0.01  -0.07
    17   6    -0.03   0.01   0.02     0.18   0.02   0.00    -0.03   0.00   0.02
    18   1    -0.03   0.01  -0.02     0.29  -0.04   0.01    -0.02  -0.00  -0.02
    19   1    -0.03   0.02   0.10     0.19   0.15  -0.01    -0.02   0.02   0.12
    20   6    -0.14   0.02  -0.02     0.09  -0.04   0.01    -0.15   0.01  -0.02
    21   1    -0.14   0.02  -0.11     0.09  -0.18   0.02    -0.16   0.01  -0.13
    22   1    -0.21   0.02   0.01     0.17   0.01   0.01    -0.23   0.01   0.02
    23   6    -0.14   0.02   0.02    -0.09   0.04   0.01    -0.15   0.01   0.02
    24   1    -0.21   0.02  -0.01    -0.17  -0.01   0.01    -0.23   0.01  -0.02
    25   1    -0.14   0.02   0.11    -0.09   0.18   0.02    -0.16   0.01   0.13
    26   6    -0.03   0.01  -0.02    -0.18  -0.02   0.00    -0.03   0.00  -0.02
    27   1    -0.03   0.02  -0.10    -0.19  -0.15  -0.01    -0.02   0.02  -0.12
    28   1    -0.03   0.01   0.02    -0.29   0.04   0.01    -0.02  -0.00   0.02
    29   6     0.05   0.01   0.02    -0.07   0.03   0.01     0.06   0.00   0.01
    30   1     0.05   0.01   0.08    -0.05   0.14   0.04     0.06   0.01   0.07
    31   6    -0.03  -0.00   0.01    -0.11   0.00  -0.00     0.18  -0.00  -0.01
    32   1    -0.16  -0.00   0.02    -0.14   0.01  -0.00     0.28  -0.00  -0.01
    33   6    -0.04  -0.01   0.01    -0.05  -0.00  -0.00     0.11   0.00  -0.00
    34   6    -0.22  -0.01   0.02     0.05  -0.00  -0.01     0.11   0.00   0.00
    35   1    -0.36  -0.02   0.03     0.03  -0.00  -0.02     0.23   0.01   0.00
    36   6    -0.19  -0.01   0.02     0.17  -0.00  -0.02    -0.07   0.00   0.01
    37   1    -0.29  -0.02   0.03     0.26  -0.00  -0.03    -0.12   0.00   0.02
    38   6     0.00  -0.00   0.01     0.14  -0.00  -0.01    -0.17  -0.00   0.01
    39   1     0.07  -0.00   0.01     0.22  -0.00  -0.01    -0.31  -0.01   0.02
                      4                      5                      6
                      A                      A                      B
 Frequencies --     97.7355               124.9903               151.4999
 Red. masses --      3.4163                 5.2791                 4.4281
 Frc consts  --      0.0192                 0.0486                 0.0599
 IR Inten    --      0.2293                 0.0203                 1.2556
 RamAct Fr= 1--      2.2334                 4.7413                 0.9882
  Dep-P Fr= 1--      0.7114                 0.3855                 0.7500
  Dep-U Fr= 1--      0.8313                 0.5565                 0.8571
 Alpha2 Fr= 1--      0.0015                 0.0370                 0.0000
 Beta2  Fr= 1--      0.3095                 0.4397                 0.1412
 AlphaG Fr= 1--      0.1499                 0.0502                -0.0000
 Gamma2 Fr= 1--     -4.5032                 2.9093                 3.6381
 Delta2 Fr= 1--     -1.3091                 0.3022                 1.1868
 Raman1 Fr= 1--       8.934                 18.965                  3.953
 ROA1   Fr= 1--    -474.197                288.962                387.236
 CID1   Fr= 1--     -53.080                 15.236                 97.966
 Raman2 Fr= 1--       3.713                  5.277                  1.694
 ROA2   Fr= 1--     -97.604                 67.405                 77.820
 CID2   Fr= 1--     -26.284                 12.774                 45.937
 Raman3 Fr= 1--       7.427                 10.553                  3.388
 ROA3   Fr= 1--    -474.197                288.962                387.236
 CID3   Fr= 1--     -63.849                 27.381                114.293
 RC180  Fr= 1--       0.663                  0.113                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.02     0.00   0.00   0.07     0.02   0.04   0.00
     2   7     0.03   0.02   0.00    -0.00   0.11   0.03     0.13   0.01   0.02
     3   7     0.00  -0.01   0.01     0.01  -0.02   0.03    -0.08   0.06  -0.01
     4   7    -0.00   0.01   0.01    -0.01   0.02   0.03    -0.08   0.06   0.01
     5   7    -0.03  -0.02   0.00     0.00  -0.11   0.03     0.13   0.01  -0.02
     6   6     0.15   0.05   0.01    -0.04   0.21  -0.00    -0.04  -0.04   0.02
     7   1     0.29   0.07   0.03    -0.06   0.27   0.05    -0.08  -0.07  -0.01
     8   6     0.07   0.05  -0.02    -0.03   0.23  -0.10    -0.12  -0.05   0.06
     9   1     0.14   0.07  -0.02    -0.05   0.29  -0.15    -0.25  -0.08   0.07
    10   6    -0.10   0.02  -0.04     0.02   0.13  -0.14     0.00  -0.00   0.08
    11   1    -0.19   0.01  -0.06     0.03   0.11  -0.22    -0.03   0.01   0.11
    12   6    -0.12   0.01  -0.02     0.03   0.06  -0.05     0.15   0.03   0.05
    13   6    -0.12  -0.01  -0.02     0.03  -0.00  -0.03     0.06   0.06   0.03
    14   1    -0.20  -0.01  -0.03     0.04  -0.04  -0.06     0.09   0.07   0.05
    15   6     0.03  -0.02   0.02    -0.01  -0.00   0.02    -0.11   0.03  -0.02
    16   1     0.03  -0.07   0.07    -0.01   0.02  -0.01    -0.11   0.02  -0.02
    17   6     0.14   0.01   0.00    -0.07  -0.01   0.04    -0.09  -0.06  -0.09
    18   1     0.25  -0.03   0.01    -0.12   0.02   0.04    -0.15  -0.03  -0.12
    19   1     0.16   0.13  -0.03    -0.08  -0.06   0.07    -0.10  -0.13  -0.19
    20   6     0.09  -0.04   0.02    -0.05   0.02   0.03     0.08  -0.13  -0.00
    21   1     0.09  -0.18   0.05    -0.05   0.10   0.01     0.09  -0.13   0.15
    22   1     0.18   0.01   0.00    -0.11  -0.00   0.04     0.20  -0.18  -0.08
    23   6    -0.09   0.04   0.02     0.05  -0.02   0.03     0.08  -0.13   0.00
    24   1    -0.18  -0.01   0.00     0.11   0.00   0.04     0.20  -0.18   0.08
    25   1    -0.09   0.18   0.05     0.05  -0.10   0.01     0.09  -0.13  -0.15
    26   6    -0.14  -0.01   0.00     0.07   0.01   0.04    -0.09  -0.06   0.09
    27   1    -0.16  -0.13  -0.03     0.08   0.06   0.07    -0.10  -0.13   0.19
    28   1    -0.25   0.03   0.01     0.12  -0.02   0.04    -0.15  -0.03   0.12
    29   6    -0.03   0.02   0.02     0.01   0.00   0.02    -0.11   0.03   0.02
    30   1    -0.03   0.07   0.07     0.01  -0.02  -0.01    -0.11   0.02   0.02
    31   6     0.12   0.01  -0.02    -0.03   0.00  -0.03     0.06   0.06  -0.03
    32   1     0.20   0.01  -0.03    -0.04   0.04  -0.06     0.09   0.07  -0.05
    33   6     0.12  -0.01  -0.02    -0.03  -0.06  -0.05     0.15   0.03  -0.05
    34   6     0.10  -0.02  -0.04    -0.02  -0.13  -0.14     0.00  -0.00  -0.08
    35   1     0.19  -0.01  -0.06    -0.03  -0.11  -0.22    -0.03   0.01  -0.11
    36   6    -0.07  -0.05  -0.02     0.03  -0.23  -0.10    -0.12  -0.05  -0.06
    37   1    -0.14  -0.07  -0.02     0.05  -0.29  -0.15    -0.25  -0.08  -0.07
    38   6    -0.15  -0.05   0.01     0.04  -0.21  -0.00    -0.04  -0.04  -0.02
    39   1    -0.29  -0.07   0.03     0.06  -0.27   0.05    -0.08  -0.07   0.01
                      7                      8                      9
                      A                      B                      B
 Frequencies --    153.4444               166.3691               213.9594
 Red. masses --      5.1229                 4.2609                 3.5944
 Frc consts  --      0.0711                 0.0695                 0.0969
 IR Inten    --      0.2152                 0.9646                 0.1998
 RamAct Fr= 1--      5.8533                 0.4959                 0.1401
  Dep-P Fr= 1--      0.7287                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8430                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0021                 0.0000                 0.0000
 Beta2  Fr= 1--      0.8224                 0.0708                 0.0200
 AlphaG Fr= 1--     -0.0327                 0.0000                 0.0000
 Gamma2 Fr= 1--     -2.2084                 1.0183                 1.6288
 Delta2 Fr= 1--     -0.0089                 0.1543                 0.0508
 Raman1 Fr= 1--      23.413                  1.984                  0.560
 ROA1   Fr= 1--    -212.296                102.699                157.991
 CID1   Fr= 1--      -9.067                 51.771                281.976
 Raman2 Fr= 1--       9.869                  0.850                  0.240
 ROA2   Fr= 1--     -52.931                 23.205                 38.685
 CID2   Fr= 1--      -5.363                 27.296                161.103
 Raman3 Fr= 1--      19.738                  1.700                  0.480
 ROA3   Fr= 1--    -212.296                102.699                157.991
 CID3   Fr= 1--     -10.756                 60.400                328.972
 RC180  Fr= 1--       0.686                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.01  -0.05  -0.00     0.10   0.01   0.00
     2   7     0.27  -0.00   0.01     0.09  -0.01  -0.01    -0.14  -0.00  -0.01
     3   7     0.12  -0.00   0.00    -0.06  -0.07   0.01     0.10   0.01   0.00
     4   7    -0.12   0.00   0.00    -0.06  -0.07  -0.01     0.10   0.01  -0.00
     5   7    -0.27   0.00   0.01     0.09  -0.01   0.01    -0.14  -0.00   0.01
     6   6     0.15  -0.02   0.00    -0.02   0.04  -0.03    -0.08  -0.00  -0.00
     7   1     0.26  -0.01   0.01    -0.05   0.08   0.00    -0.13  -0.01  -0.00
     8   6    -0.12  -0.03  -0.00    -0.07   0.05  -0.08     0.06   0.00   0.01
     9   1    -0.25  -0.04  -0.01    -0.15   0.08  -0.11     0.13   0.00   0.01
    10   6    -0.15  -0.03  -0.00     0.01   0.00  -0.10     0.06   0.00   0.01
    11   1    -0.34  -0.03  -0.01    -0.00  -0.01  -0.14     0.15   0.01   0.02
    12   6     0.10  -0.01   0.00     0.10  -0.02  -0.04    -0.08  -0.00   0.00
    13   6     0.06  -0.00  -0.00     0.04  -0.06  -0.03    -0.04   0.00  -0.00
    14   1    -0.03  -0.00  -0.01     0.05  -0.09  -0.06    -0.12   0.01  -0.00
    15   6     0.02  -0.01  -0.01    -0.10  -0.05   0.02    -0.04   0.01  -0.03
    16   1     0.01  -0.02  -0.09    -0.10  -0.07  -0.01    -0.05   0.02  -0.13
    17   6    -0.06  -0.01   0.01    -0.08   0.04   0.09    -0.15  -0.03  -0.01
    18   1    -0.11   0.02   0.00    -0.14   0.07   0.23    -0.32   0.05   0.01
    19   1    -0.07  -0.06   0.06    -0.09  -0.03   0.02    -0.18  -0.23  -0.07
    20   6    -0.07   0.03  -0.01     0.08   0.18   0.07     0.08   0.01   0.04
    21   1    -0.07   0.13  -0.06     0.09   0.21   0.20     0.09   0.03   0.24
    22   1    -0.15  -0.00   0.01     0.17   0.23   0.06     0.22  -0.00  -0.02
    23   6     0.07  -0.03  -0.01     0.08   0.18  -0.07     0.08   0.01  -0.04
    24   1     0.15   0.00   0.01     0.17   0.23  -0.06     0.22  -0.00   0.02
    25   1     0.07  -0.13  -0.06     0.09   0.21  -0.20     0.09   0.03  -0.24
    26   6     0.06   0.01   0.01    -0.08   0.04  -0.09    -0.15  -0.03   0.01
    27   1     0.07   0.06   0.06    -0.09  -0.03  -0.02    -0.18  -0.23   0.07
    28   1     0.11  -0.02   0.00    -0.14   0.07  -0.23    -0.32   0.05  -0.01
    29   6    -0.02   0.01  -0.01    -0.10  -0.05  -0.02    -0.04   0.01   0.03
    30   1    -0.01   0.02  -0.09    -0.10  -0.07   0.01    -0.05   0.02   0.13
    31   6    -0.06   0.00  -0.00     0.04  -0.06   0.03    -0.04   0.00   0.00
    32   1     0.03   0.00  -0.01     0.05  -0.09   0.06    -0.12   0.01   0.00
    33   6    -0.10   0.01   0.00     0.10  -0.02   0.04    -0.08  -0.00  -0.00
    34   6     0.15   0.03  -0.00     0.01   0.00   0.10     0.06   0.00  -0.01
    35   1     0.34   0.03  -0.01    -0.00  -0.01   0.14     0.15   0.01  -0.02
    36   6     0.12   0.03  -0.00    -0.07   0.05   0.08     0.06   0.00  -0.01
    37   1     0.25   0.04  -0.01    -0.15   0.08   0.11     0.13   0.00  -0.01
    38   6    -0.15   0.02   0.00    -0.02   0.04   0.03    -0.08  -0.00   0.00
    39   1    -0.26   0.01   0.01    -0.05   0.08  -0.00    -0.13  -0.01   0.00
                     10                     11                     12
                      B                      A                      B
 Frequencies --    254.3723               258.4262               274.7929
 Red. masses --      5.7017                 4.0730                 3.4535
 Frc consts  --      0.2174                 0.1603                 0.1536
 IR Inten    --      3.4473                 2.0117                 0.0815
 RamAct Fr= 1--      6.1772                 6.1786                 0.2966
  Dep-P Fr= 1--      0.7500                 0.2979                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4591                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0638                 0.0000
 Beta2  Fr= 1--      0.8825                 0.4728                 0.0424
 AlphaG Fr= 1--      0.0000                 4.0595                 0.0000
 Gamma2 Fr= 1--     -0.4464                 4.5740                 1.2395
 Delta2 Fr= 1--     -0.0140                 1.6191                 0.0259
 Raman1 Fr= 1--      24.709                 24.714                  1.186
 ROA1   Fr= 1--     -43.306                490.910                119.821
 CID1   Fr= 1--      -1.753                 19.863                101.004
 Raman2 Fr= 1--      10.590                  5.673                  0.508
 ROA2   Fr= 1--     -10.602                 96.823                 29.541
 CID2   Fr= 1--      -1.001                 17.067                 58.105
 Raman3 Fr= 1--      21.179                 11.346                  1.017
 ROA3   Fr= 1--     -43.306                490.910                119.821
 CID3   Fr= 1--      -2.045                 43.267                117.838
 RC180  Fr= 1--       0.714                 -0.082                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.01  -0.06  -0.00     0.00  -0.00   0.00     0.11  -0.01  -0.00
     2   7    -0.00  -0.01   0.21    -0.12  -0.02  -0.01    -0.03  -0.00   0.01
     3   7     0.01  -0.03   0.05     0.22  -0.02   0.01    -0.12  -0.01   0.00
     4   7     0.01  -0.03  -0.05    -0.22   0.02   0.01    -0.12  -0.01  -0.00
     5   7    -0.00  -0.01  -0.21     0.12   0.02  -0.01    -0.03  -0.00  -0.01
     6   6    -0.00   0.16   0.19     0.00  -0.02  -0.01    -0.11   0.00   0.00
     7   1     0.01   0.27   0.30     0.05  -0.02  -0.00    -0.21   0.01   0.00
     8   6    -0.01   0.18   0.05     0.07  -0.02  -0.01    -0.01   0.01  -0.00
     9   1    -0.02   0.28  -0.01     0.16  -0.01  -0.00    -0.02   0.01  -0.01
    10   6    -0.02   0.03  -0.00    -0.03  -0.03  -0.02     0.10   0.01   0.00
    11   1    -0.02  -0.00  -0.13    -0.01  -0.02  -0.02     0.19   0.01  -0.00
    12   6    -0.01  -0.06   0.13    -0.13  -0.03  -0.02     0.04  -0.00   0.01
    13   6     0.01  -0.05   0.13     0.05  -0.02  -0.01    -0.11  -0.01  -0.00
    14   1     0.02  -0.01   0.17     0.05  -0.02  -0.01    -0.20  -0.01  -0.01
    15   6     0.02   0.00   0.02     0.09  -0.04   0.00    -0.10  -0.02   0.02
    16   1     0.02   0.02   0.02     0.06  -0.16  -0.09    -0.10  -0.09   0.11
    17   6    -0.01  -0.04   0.00     0.02   0.01   0.06     0.11   0.04  -0.02
    18   1    -0.03  -0.03  -0.04     0.06  -0.01   0.04     0.34  -0.06   0.00
    19   1    -0.01  -0.06   0.01     0.03   0.05   0.19     0.14   0.30  -0.06
    20   6    -0.01  -0.07   0.01    -0.12   0.05  -0.01    -0.03  -0.01  -0.03
    21   1    -0.01  -0.08   0.02    -0.13   0.24  -0.21    -0.04  -0.04  -0.15
    22   1     0.01  -0.06   0.01    -0.37   0.01   0.07    -0.10  -0.02  -0.01
    23   6    -0.01  -0.07  -0.01     0.12  -0.05  -0.01    -0.03  -0.01   0.03
    24   1     0.01  -0.06  -0.01     0.37  -0.01   0.07    -0.10  -0.02   0.01
    25   1    -0.01  -0.08  -0.02     0.13  -0.24  -0.21    -0.04  -0.04   0.15
    26   6    -0.01  -0.04  -0.00    -0.02  -0.01   0.06     0.11   0.04   0.02
    27   1    -0.01  -0.06  -0.01    -0.03  -0.05   0.19     0.14   0.30   0.06
    28   1    -0.03  -0.03   0.04    -0.06   0.01   0.04     0.34  -0.06  -0.00
    29   6     0.02   0.00  -0.02    -0.09   0.04   0.00    -0.10  -0.02  -0.02
    30   1     0.02   0.02  -0.02    -0.06   0.16  -0.09    -0.10  -0.09  -0.11
    31   6     0.01  -0.05  -0.13    -0.05   0.02  -0.01    -0.11  -0.01   0.00
    32   1     0.02  -0.01  -0.17    -0.05   0.02  -0.01    -0.20  -0.01   0.01
    33   6    -0.01  -0.06  -0.13     0.13   0.03  -0.02     0.04  -0.00  -0.01
    34   6    -0.02   0.03   0.00     0.03   0.03  -0.02     0.10   0.01  -0.00
    35   1    -0.02  -0.00   0.13     0.01   0.02  -0.02     0.19   0.01   0.00
    36   6    -0.01   0.18  -0.05    -0.07   0.02  -0.01    -0.01   0.01   0.00
    37   1    -0.02   0.28   0.01    -0.16   0.01  -0.00    -0.02   0.01   0.01
    38   6    -0.00   0.16  -0.19    -0.00   0.02  -0.01    -0.11   0.00  -0.00
    39   1     0.01   0.27  -0.30    -0.05   0.02  -0.00    -0.21   0.01  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    277.5385               332.1465               340.4614
 Red. masses --      5.4608                 3.2960                 2.9470
 Frc consts  --      0.2478                 0.2142                 0.2013
 IR Inten    --      1.6958                 0.4416                 0.3676
 RamAct Fr= 1--      3.5818                28.8065                 8.4587
  Dep-P Fr= 1--      0.7469                 0.1002                 0.1003
  Dep-U Fr= 1--      0.8551                 0.1821                 0.1824
 Alpha2 Fr= 1--      0.0002                 0.5042                 0.1480
 Beta2  Fr= 1--      0.5105                 0.8742                 0.2571
 AlphaG Fr= 1--     -0.0285                 3.1877                -3.3024
 Gamma2 Fr= 1--     -0.0298                 1.6968                -3.6598
 Delta2 Fr= 1--      0.0615                 0.5686                -1.5392
 Raman1 Fr= 1--      14.327                115.226                 33.835
 ROA1   Fr= 1--      -0.893                181.094               -400.599
 CID1   Fr= 1--      -0.062                  1.572                -11.840
 Raman2 Fr= 1--       6.125                 10.490                  3.085
 ROA2   Fr= 1--      -1.207                 36.175                -75.522
 CID2   Fr= 1--      -0.197                  3.448                -24.480
 Raman3 Fr= 1--      12.251                 20.981                  6.170
 ROA3   Fr= 1--      -0.893                181.094               -400.599
 CID3   Fr= 1--      -0.073                  8.632                -64.925
 RC180  Fr= 1--       0.710                 -0.636                 -0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.08    -0.00   0.00  -0.03    -0.00   0.00  -0.03
     2   7     0.01   0.05  -0.15     0.02   0.09  -0.02    -0.05   0.05  -0.00
     3   7    -0.01   0.04   0.04    -0.05   0.08   0.01     0.12   0.06   0.00
     4   7     0.01  -0.04   0.04     0.05  -0.08   0.01    -0.12  -0.06   0.00
     5   7    -0.01  -0.05  -0.15    -0.02  -0.09  -0.02     0.05  -0.05  -0.00
     6   6     0.01  -0.05  -0.13     0.00   0.03  -0.01     0.02   0.03   0.01
     7   1     0.01  -0.10  -0.19    -0.00  -0.02  -0.05     0.07   0.01  -0.00
     8   6     0.00  -0.06  -0.04    -0.01   0.02   0.08     0.02   0.02   0.06
     9   1     0.00  -0.13   0.01    -0.02  -0.04   0.11     0.05  -0.00   0.07
    10   6     0.00   0.04   0.00    -0.00   0.09   0.10    -0.05   0.06   0.06
    11   1    -0.00   0.06   0.08    -0.01   0.11   0.18    -0.06   0.07   0.10
    12   6     0.01   0.10  -0.07     0.01   0.13   0.02    -0.06   0.07   0.02
    13   6    -0.00   0.07  -0.06    -0.02   0.10   0.01     0.08   0.06   0.02
    14   1    -0.00   0.02  -0.12    -0.01   0.08  -0.01     0.13   0.06   0.03
    15   6     0.00   0.00   0.12     0.01   0.00   0.02     0.00   0.01  -0.02
    16   1     0.00  -0.00   0.10     0.01  -0.02   0.09    -0.00   0.02  -0.10
    17   6    -0.03   0.01   0.18     0.08   0.00  -0.02    -0.08  -0.06  -0.06
    18   1    -0.05   0.02   0.19     0.20  -0.05  -0.03    -0.26   0.02  -0.06
    19   1    -0.03  -0.02   0.20     0.11   0.14   0.03    -0.11  -0.26  -0.13
    20   6     0.01  -0.00   0.24    -0.08   0.03  -0.10     0.09  -0.04  -0.02
    21   1     0.01  -0.02   0.30    -0.09   0.17  -0.33     0.10  -0.18   0.19
    22   1     0.07  -0.03   0.19    -0.32   0.03  -0.01     0.31   0.01  -0.08
    23   6    -0.01   0.00   0.24     0.08  -0.03  -0.10    -0.09   0.04  -0.02
    24   1    -0.07   0.03   0.19     0.32  -0.03  -0.01    -0.31  -0.01  -0.08
    25   1    -0.01   0.02   0.30     0.09  -0.17  -0.33    -0.10   0.18   0.19
    26   6     0.03  -0.01   0.18    -0.08  -0.00  -0.02     0.08   0.06  -0.06
    27   1     0.03   0.02   0.20    -0.11  -0.14   0.03     0.11   0.26  -0.13
    28   1     0.05  -0.02   0.19    -0.20   0.05  -0.03     0.26  -0.02  -0.06
    29   6    -0.00  -0.00   0.12    -0.01  -0.00   0.02    -0.00  -0.01  -0.02
    30   1    -0.00   0.00   0.10    -0.01   0.02   0.09     0.00  -0.02  -0.10
    31   6     0.00  -0.07  -0.06     0.02  -0.10   0.01    -0.08  -0.06   0.02
    32   1     0.00  -0.02  -0.12     0.01  -0.08  -0.01    -0.13  -0.06   0.03
    33   6    -0.01  -0.10  -0.07    -0.01  -0.13   0.02     0.06  -0.07   0.02
    34   6    -0.00  -0.04   0.00     0.00  -0.09   0.10     0.05  -0.06   0.06
    35   1     0.00  -0.06   0.08     0.01  -0.11   0.18     0.06  -0.07   0.10
    36   6    -0.00   0.06  -0.04     0.01  -0.02   0.08    -0.02  -0.02   0.06
    37   1    -0.00   0.13   0.01     0.02   0.04   0.11    -0.05   0.00   0.07
    38   6    -0.01   0.05  -0.13    -0.00  -0.03  -0.01    -0.02  -0.03   0.01
    39   1    -0.01   0.10  -0.19     0.00   0.02  -0.05    -0.07  -0.01  -0.00
                     16                     17                     18
                      B                      A                      A
 Frequencies --    362.6339               387.4697               400.1794
 Red. masses --      4.6256                 3.5015                 5.8685
 Frc consts  --      0.3584                 0.3097                 0.5537
 IR Inten    --      0.1400                 1.9704                 2.6023
 RamAct Fr= 1--     13.8595                 2.4508                 9.2596
  Dep-P Fr= 1--      0.7500                 0.4457                 0.1397
  Dep-U Fr= 1--      0.8571                 0.6166                 0.2451
 Alpha2 Fr= 1--      0.0000                 0.0153                 0.1469
 Beta2  Fr= 1--      1.9799                 0.2519                 0.3782
 AlphaG Fr= 1--      0.0000                 1.8904                -3.0663
 Gamma2 Fr= 1--      8.4841                -7.6880                 6.5109
 Delta2 Fr= 1--      0.0368                 0.8208                -1.9921
 Raman1 Fr= 1--      55.438                  9.803                 37.038
 ROA1   Fr= 1--     815.648               -711.781                561.301
 CID1   Fr= 1--      14.713                -72.607                 15.155
 Raman2 Fr= 1--      23.759                  3.022                  4.539
 ROA2   Fr= 1--     203.324               -191.077                172.199
 CID2   Fr= 1--       8.558                -63.223                 37.941
 Raman3 Fr= 1--      47.518                  6.045                  9.077
 ROA3   Fr= 1--     815.648               -711.781                561.301
 CID3   Fr= 1--      17.165               -117.756                 61.836
 RC180  Fr= 1--       0.714                  0.233                 -0.510
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.02   0.08   0.00    -0.00   0.00   0.10    -0.00  -0.00   0.20
     2   7     0.00   0.07  -0.01     0.05   0.03  -0.05    -0.05   0.02  -0.10
     3   7    -0.05  -0.05   0.05     0.13  -0.00   0.02    -0.12  -0.02   0.02
     4   7    -0.05  -0.05  -0.05    -0.13   0.00   0.02     0.12   0.02   0.02
     5   7     0.00   0.07   0.01    -0.05  -0.03  -0.05     0.05  -0.02  -0.10
     6   6    -0.02  -0.00   0.01    -0.07  -0.03  -0.05     0.06  -0.07  -0.10
     7   1    -0.03  -0.05  -0.04    -0.18  -0.08  -0.09     0.15  -0.12  -0.15
     8   6    -0.01  -0.01   0.08    -0.01  -0.04   0.00     0.02  -0.09  -0.03
     9   1    -0.01  -0.05   0.10    -0.01  -0.08   0.02     0.03  -0.14   0.00
    10   6     0.01   0.06   0.10     0.08   0.01   0.02    -0.07  -0.01  -0.01
    11   1     0.02   0.08   0.18     0.13   0.03   0.08    -0.11   0.01   0.07
    12   6     0.01   0.09   0.02     0.04   0.05  -0.03    -0.04   0.05  -0.08
    13   6    -0.03  -0.01   0.00    -0.18   0.01  -0.05     0.15   0.01  -0.06
    14   1    -0.03  -0.07  -0.05    -0.54  -0.02  -0.11     0.47  -0.04  -0.10
    15   6     0.07  -0.15   0.09     0.01  -0.01  -0.01    -0.01  -0.02   0.02
    16   1     0.07  -0.12   0.16     0.01  -0.03  -0.06    -0.00   0.01   0.08
    17   6     0.02  -0.14   0.18    -0.02  -0.03  -0.03     0.01  -0.06  -0.03
    18   1    -0.05  -0.11   0.21    -0.08  -0.01  -0.03    -0.04  -0.04  -0.03
    19   1     0.01  -0.22   0.27    -0.03  -0.10  -0.05     0.00  -0.10  -0.05
    20   6    -0.03  -0.01   0.10     0.02  -0.01  -0.04     0.01  -0.01  -0.07
    21   1    -0.03  -0.02   0.09     0.02  -0.04  -0.00     0.00  -0.01  -0.10
    22   1    -0.03   0.12   0.18     0.07   0.01  -0.04    -0.02   0.03  -0.04
    23   6    -0.03  -0.01  -0.10    -0.02   0.01  -0.04    -0.01   0.01  -0.07
    24   1    -0.03   0.12  -0.18    -0.07  -0.01  -0.04     0.02  -0.03  -0.04
    25   1    -0.03  -0.02  -0.09    -0.02   0.04  -0.00    -0.00   0.01  -0.10
    26   6     0.02  -0.14  -0.18     0.02   0.03  -0.03    -0.01   0.06  -0.03
    27   1     0.01  -0.22  -0.27     0.03   0.10  -0.05    -0.00   0.10  -0.05
    28   1    -0.05  -0.11  -0.21     0.08   0.01  -0.03     0.04   0.04  -0.03
    29   6     0.07  -0.15  -0.09    -0.01   0.01  -0.01     0.01   0.02   0.02
    30   1     0.07  -0.12  -0.16    -0.01   0.03  -0.06     0.00  -0.01   0.08
    31   6    -0.03  -0.01  -0.00     0.18  -0.01  -0.05    -0.15  -0.01  -0.06
    32   1    -0.03  -0.07   0.05     0.54   0.02  -0.11    -0.47   0.04  -0.10
    33   6     0.01   0.09  -0.02    -0.04  -0.05  -0.03     0.04  -0.05  -0.08
    34   6     0.01   0.06  -0.10    -0.08  -0.01   0.02     0.07   0.01  -0.01
    35   1     0.02   0.08  -0.18    -0.13  -0.03   0.08     0.11  -0.01   0.07
    36   6    -0.01  -0.01  -0.08     0.01   0.04   0.00    -0.02   0.09  -0.03
    37   1    -0.01  -0.05  -0.10     0.01   0.08   0.02    -0.03   0.14   0.00
    38   6    -0.02  -0.00  -0.01     0.07   0.03  -0.05    -0.06   0.07  -0.10
    39   1    -0.03  -0.05   0.04     0.18   0.08  -0.09    -0.15   0.12  -0.15
                     19                     20                     21
                      B                      B                      B
 Frequencies --    403.7349               427.0311               444.7521
 Red. masses --      3.0545                 3.9450                 6.2776
 Frc consts  --      0.2933                 0.4239                 0.7316
 IR Inten    --      6.1772                20.0852                 9.7146
 RamAct Fr= 1--      0.1542                 1.1283                13.1921
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0220                 0.1612                 1.8846
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.6329                 6.9097               -10.1979
 Delta2 Fr= 1--      0.0549                 0.0379                 1.5565
 Raman1 Fr= 1--       0.617                  4.513                 52.769
 ROA1   Fr= 1--     -59.002                664.545               -929.188
 CID1   Fr= 1--     -95.674                147.248                -17.609
 Raman2 Fr= 1--       0.264                  1.934                 22.615
 ROA2   Fr= 1--     -15.629                165.530               -257.202
 CID2   Fr= 1--     -59.132                 85.582                -11.373
 Raman3 Fr= 1--       0.529                  3.868                 45.230
 ROA3   Fr= 1--     -59.002                664.545               -929.188
 CID3   Fr= 1--    -111.620                171.789                -20.544
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.02   0.04   0.00    -0.07   0.07   0.00     0.03   0.20   0.00
     2   7    -0.08   0.01   0.01     0.07  -0.00   0.04    -0.02  -0.10   0.08
     3   7     0.02  -0.02  -0.00     0.21  -0.01  -0.01    -0.12   0.02  -0.11
     4   7     0.02  -0.02   0.00     0.21  -0.01   0.01    -0.12   0.02   0.11
     5   7    -0.08   0.01  -0.01     0.07  -0.00  -0.04    -0.02  -0.10  -0.08
     6   6     0.05   0.00   0.02    -0.02  -0.00   0.04    -0.01  -0.03   0.07
     7   1     0.13  -0.00   0.01    -0.08   0.00   0.04    -0.01   0.03   0.13
     8   6     0.02  -0.00   0.02    -0.02  -0.01   0.02     0.01  -0.02  -0.06
     9   1     0.05  -0.00   0.03    -0.03   0.01   0.01     0.00   0.07  -0.11
    10   6    -0.08   0.00   0.02     0.04  -0.02   0.01     0.01  -0.13  -0.10
    11   1    -0.12   0.00   0.03     0.05  -0.02  -0.00     0.03  -0.16  -0.21
    12   6    -0.07   0.01   0.00     0.06  -0.02   0.01    -0.01  -0.17   0.01
    13   6     0.17  -0.01   0.01    -0.11  -0.03  -0.02     0.01  -0.02  -0.01
    14   1     0.38  -0.02   0.02    -0.48  -0.01  -0.03     0.14   0.08   0.12
    15   6    -0.16  -0.09  -0.01    -0.09  -0.09  -0.05     0.07  -0.04  -0.03
    16   1    -0.19  -0.25  -0.05    -0.11  -0.24  -0.15     0.09   0.04   0.05
    17   6     0.02   0.01  -0.00     0.01   0.00  -0.01    -0.00  -0.06  -0.01
    18   1     0.23  -0.08   0.08     0.15  -0.06   0.08    -0.19   0.03   0.07
    19   1     0.05   0.24  -0.09     0.03   0.15  -0.08    -0.03  -0.25   0.03
    20   6     0.01   0.01  -0.00     0.02   0.02  -0.02     0.02   0.08  -0.05
    21   1     0.01  -0.01  -0.00     0.01   0.03  -0.03     0.01   0.17  -0.18
    22   1     0.02   0.01  -0.01    -0.00   0.01  -0.02    -0.15   0.04  -0.01
    23   6     0.01   0.01   0.00     0.02   0.02   0.02     0.02   0.08   0.05
    24   1     0.02   0.01   0.01    -0.00   0.01   0.02    -0.15   0.04   0.01
    25   1     0.01  -0.01   0.00     0.01   0.03   0.03     0.01   0.17   0.18
    26   6     0.02   0.01   0.00     0.01   0.00   0.01    -0.00  -0.06   0.01
    27   1     0.05   0.24   0.09     0.03   0.15   0.08    -0.03  -0.25  -0.03
    28   1     0.23  -0.08  -0.08     0.15  -0.06  -0.08    -0.19   0.03  -0.07
    29   6    -0.16  -0.09   0.01    -0.09  -0.09   0.05     0.07  -0.04   0.03
    30   1    -0.19  -0.25   0.05    -0.11  -0.24   0.15     0.09   0.04  -0.05
    31   6     0.17  -0.01  -0.01    -0.11  -0.03   0.02     0.01  -0.02   0.01
    32   1     0.38  -0.02  -0.02    -0.48  -0.01   0.03     0.14   0.08  -0.12
    33   6    -0.07   0.01  -0.00     0.06  -0.02  -0.01    -0.01  -0.17  -0.01
    34   6    -0.08   0.00  -0.02     0.04  -0.02  -0.01     0.01  -0.13   0.10
    35   1    -0.12   0.00  -0.03     0.05  -0.02   0.00     0.03  -0.16   0.21
    36   6     0.02  -0.00  -0.02    -0.02  -0.01  -0.02     0.01  -0.02   0.06
    37   1     0.05  -0.00  -0.03    -0.03   0.01  -0.01     0.00   0.07   0.11
    38   6     0.05   0.00  -0.02    -0.02  -0.00  -0.04    -0.01  -0.03  -0.07
    39   1     0.13  -0.00  -0.01    -0.08   0.00  -0.04    -0.01   0.03  -0.13
                     22                     23                     24
                      A                      B                      A
 Frequencies --    470.5519               489.8625               573.8950
 Red. masses --      3.0700                 2.3348                 5.3475
 Frc consts  --      0.4005                 0.3301                 1.0377
 IR Inten    --      1.1387                 4.0366                 1.3244
 RamAct Fr= 1--      3.9156                 3.2490                 4.6534
  Dep-P Fr= 1--      0.0737                 0.7500                 0.1380
  Dep-U Fr= 1--      0.1373                 0.8571                 0.2426
 Alpha2 Fr= 1--      0.0731                 0.0000                 0.0741
 Beta2  Fr= 1--      0.0896                 0.4641                 0.1881
 AlphaG Fr= 1--     -0.8361                 0.0000                 0.5468
 Gamma2 Fr= 1--     -1.7734                 0.0280                 0.1358
 Delta2 Fr= 1--     -0.5158                -0.5304                -0.2075
 Raman1 Fr= 1--      15.662                 12.996                 18.613
 ROA1   Fr= 1--    -186.753                -14.287                  6.398
 CID1   Fr= 1--     -11.924                 -1.099                  0.344
 Raman2 Fr= 1--       1.075                  5.570                  2.257
 ROA2   Fr= 1--     -38.436                  4.915                  4.920
 CID2   Fr= 1--     -35.741                  0.882                  2.179
 Raman3 Fr= 1--       2.151                 11.139                  4.515
 ROA3   Fr= 1--    -186.753                -14.287                  6.398
 CID3   Fr= 1--     -86.830                 -1.283                  1.417
 RC180  Fr= 1--      -0.725                  0.714                 -0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.04    -0.00   0.04  -0.00     0.00   0.00   0.06
     2   7    -0.01   0.03  -0.01     0.00  -0.04   0.00     0.00  -0.08   0.01
     3   7     0.03  -0.01  -0.03     0.01   0.02   0.03     0.03   0.26  -0.05
     4   7    -0.03   0.01  -0.03     0.01   0.02  -0.03    -0.03  -0.26  -0.05
     5   7     0.01  -0.03  -0.01     0.00  -0.04  -0.00    -0.00   0.08   0.01
     6   6     0.00   0.00  -0.00     0.00  -0.02  -0.01    -0.01  -0.01   0.01
     7   1     0.02  -0.02  -0.03    -0.00   0.01   0.01    -0.02   0.05   0.06
     8   6     0.00  -0.01   0.03     0.00  -0.01  -0.05     0.01  -0.00  -0.08
     9   1     0.01  -0.03   0.04     0.00   0.01  -0.07     0.02   0.05  -0.11
    10   6    -0.01   0.02   0.04     0.00  -0.04  -0.06     0.00  -0.07  -0.10
    11   1    -0.02   0.03   0.08     0.01  -0.06  -0.11     0.01  -0.11  -0.22
    12   6    -0.01   0.04  -0.01     0.00  -0.05  -0.00    -0.00  -0.08   0.02
    13   6     0.02  -0.00  -0.02     0.00   0.02   0.01    -0.00   0.25   0.01
    14   1     0.02  -0.01  -0.03    -0.01   0.03   0.03    -0.06   0.41   0.20
    15   6    -0.07   0.07  -0.11    -0.01   0.06   0.04    -0.03   0.07   0.05
    16   1    -0.06   0.15  -0.20    -0.01   0.06   0.03    -0.02   0.09   0.05
    17   6    -0.04   0.22  -0.05    -0.00   0.06   0.07     0.00   0.02  -0.01
    18   1     0.21   0.11  -0.07     0.18  -0.03  -0.05     0.06  -0.00  -0.01
    19   1    -0.00   0.46  -0.08     0.03   0.25   0.12     0.01   0.09  -0.03
    20   6    -0.02   0.02   0.08    -0.05  -0.09   0.13    -0.01   0.00   0.01
    21   1    -0.01   0.02   0.18    -0.03  -0.27   0.38    -0.01   0.01   0.00
    22   1     0.07  -0.11  -0.04     0.28   0.02   0.07    -0.02  -0.02   0.00
    23   6     0.02  -0.02   0.08    -0.05  -0.09  -0.13     0.01  -0.00   0.01
    24   1    -0.07   0.11  -0.04     0.28   0.02  -0.07     0.02   0.02   0.00
    25   1     0.01  -0.02   0.18    -0.03  -0.27  -0.38     0.01  -0.01   0.00
    26   6     0.04  -0.22  -0.05    -0.00   0.06  -0.07    -0.00  -0.02  -0.01
    27   1     0.00  -0.46  -0.08     0.03   0.25  -0.12    -0.01  -0.09  -0.03
    28   1    -0.21  -0.11  -0.07     0.18  -0.03   0.05    -0.06   0.00  -0.01
    29   6     0.07  -0.07  -0.11    -0.01   0.06  -0.04     0.03  -0.07   0.05
    30   1     0.06  -0.15  -0.20    -0.01   0.06  -0.03     0.02  -0.09   0.05
    31   6    -0.02   0.00  -0.02     0.00   0.02  -0.01     0.00  -0.25   0.01
    32   1    -0.02   0.01  -0.03    -0.01   0.03  -0.03     0.06  -0.41   0.20
    33   6     0.01  -0.04  -0.01     0.00  -0.05   0.00     0.00   0.08   0.02
    34   6     0.01  -0.02   0.04     0.00  -0.04   0.06    -0.00   0.07  -0.10
    35   1     0.02  -0.03   0.08     0.01  -0.06   0.11    -0.01   0.11  -0.22
    36   6    -0.00   0.01   0.03     0.00  -0.01   0.05    -0.01   0.00  -0.08
    37   1    -0.01   0.03   0.04     0.00   0.01   0.07    -0.02  -0.05  -0.11
    38   6    -0.00  -0.00  -0.00     0.00  -0.02   0.01     0.01   0.01   0.01
    39   1    -0.02   0.02  -0.03    -0.00   0.01  -0.01     0.02  -0.05   0.06
                     25                     26                     27
                      A                      B                      B
 Frequencies --    608.6311               612.0366               615.4482
 Red. masses --      2.8298                 4.4663                 3.1206
 Frc consts  --      0.6176                 0.9857                 0.6964
 IR Inten    --      0.0001                 3.7047                13.1535
 RamAct Fr= 1--      0.5173                 0.2342                 0.1695
  Dep-P Fr= 1--      0.2437                 0.7500                 0.7500
  Dep-U Fr= 1--      0.3918                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0062                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0338                 0.0335                 0.0242
 AlphaG Fr= 1--     -0.0507                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0399                -0.6415                -0.3618
 Delta2 Fr= 1--      0.2418                -0.1854                 0.0754
 Raman1 Fr= 1--       2.069                  0.937                  0.678
 ROA1   Fr= 1--       3.901                -67.515                -32.322
 CID1   Fr= 1--       1.886                -72.063                -47.675
 Raman2 Fr= 1--       0.405                  0.402                  0.291
 ROA2   Fr= 1--      -2.893                -13.913                 -9.287
 CID2   Fr= 1--      -7.136                -34.650                -31.962
 Raman3 Fr= 1--       0.811                  0.803                  0.581
 ROA3   Fr= 1--       3.901                -67.515                -32.322
 CID3   Fr= 1--       4.812                -84.073                -55.621
 RC180  Fr= 1--      -0.216                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00  -0.00    -0.00  -0.08   0.00    -0.00   0.02   0.00
     2   7     0.06   0.00   0.00     0.02  -0.05   0.00     0.06   0.01   0.00
     3   7    -0.01  -0.01   0.00     0.03   0.20  -0.06    -0.02  -0.05   0.02
     4   7     0.01   0.01   0.00     0.03   0.20   0.06    -0.02  -0.05  -0.02
     5   7    -0.06  -0.00   0.00     0.02  -0.05  -0.00     0.06   0.01  -0.00
     6   6    -0.12  -0.01  -0.01    -0.04   0.00  -0.00    -0.13  -0.01  -0.01
     7   1    -0.47  -0.02  -0.03    -0.15   0.03   0.02    -0.44  -0.03  -0.03
     8   6     0.19   0.01   0.01     0.07   0.01  -0.02     0.19   0.01   0.02
     9   1     0.22   0.01   0.01     0.09   0.03  -0.03     0.24   0.01   0.02
    10   6    -0.15  -0.01  -0.01    -0.05  -0.03  -0.04    -0.15  -0.00  -0.00
    11   1    -0.38  -0.02  -0.02    -0.13  -0.05  -0.10    -0.37  -0.01   0.00
    12   6     0.06   0.00   0.00     0.03  -0.02   0.01     0.07   0.01   0.00
    13   6     0.02  -0.00   0.00     0.01   0.21  -0.01     0.02  -0.05   0.00
    14   1    -0.03  -0.01  -0.01    -0.08   0.34   0.13    -0.03  -0.09  -0.04
    15   6    -0.00  -0.00   0.00    -0.06  -0.06   0.02     0.01   0.02  -0.00
    16   1    -0.00   0.00   0.01    -0.07  -0.19   0.08     0.02   0.05  -0.01
    17   6     0.00  -0.00  -0.00     0.04  -0.11   0.08    -0.01   0.03  -0.02
    18   1     0.00  -0.00  -0.00     0.01  -0.10   0.16    -0.01   0.03  -0.04
    19   1     0.00   0.00  -0.00     0.03  -0.13   0.07    -0.01   0.03  -0.02
    20   6     0.00  -0.00  -0.00     0.01   0.01   0.03    -0.00  -0.00  -0.01
    21   1     0.00  -0.00  -0.00    -0.00   0.08  -0.10     0.00  -0.02   0.02
    22   1    -0.00   0.00  -0.00    -0.14   0.08   0.13     0.03  -0.02  -0.03
    23   6    -0.00   0.00  -0.00     0.01   0.01  -0.03    -0.00  -0.00   0.01
    24   1     0.00  -0.00  -0.00    -0.14   0.08  -0.13     0.03  -0.02   0.03
    25   1    -0.00   0.00  -0.00    -0.00   0.08   0.10     0.00  -0.02  -0.02
    26   6    -0.00   0.00  -0.00     0.04  -0.11  -0.08    -0.01   0.03   0.02
    27   1    -0.00  -0.00  -0.00     0.03  -0.13  -0.07    -0.01   0.03   0.02
    28   1    -0.00   0.00  -0.00     0.01  -0.10  -0.16    -0.01   0.03   0.04
    29   6     0.00   0.00   0.00    -0.06  -0.06  -0.02     0.01   0.02   0.00
    30   1     0.00  -0.00   0.01    -0.07  -0.19  -0.08     0.02   0.05   0.01
    31   6    -0.02   0.00   0.00     0.01   0.21   0.01     0.02  -0.05  -0.00
    32   1     0.03   0.01  -0.01    -0.08   0.34  -0.13    -0.03  -0.09   0.04
    33   6    -0.06  -0.00   0.00     0.03  -0.02  -0.01     0.07   0.01  -0.00
    34   6     0.15   0.01  -0.01    -0.05  -0.03   0.04    -0.15  -0.00   0.00
    35   1     0.38   0.02  -0.02    -0.13  -0.05   0.10    -0.37  -0.01  -0.00
    36   6    -0.19  -0.01   0.01     0.07   0.01   0.02     0.19   0.01  -0.02
    37   1    -0.22  -0.01   0.01     0.09   0.03   0.03     0.24   0.01  -0.02
    38   6     0.12   0.01  -0.01    -0.04   0.00   0.00    -0.13  -0.01   0.01
    39   1     0.47   0.02  -0.03    -0.15   0.03  -0.02    -0.44  -0.03   0.03
                     28                     29                     30
                      B                      A                      B
 Frequencies --    661.8961               662.6128               696.8617
 Red. masses --      3.5929                 5.3363                 3.7105
 Frc consts  --      0.9274                 1.3804                 1.0616
 IR Inten    --     12.4984                 0.0009                13.5540
 RamAct Fr= 1--      0.3075                 0.7225                 0.7164
  Dep-P Fr= 1--      0.7500                 0.7171                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8352                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0000
 Beta2  Fr= 1--      0.0439                 0.1006                 0.1023
 AlphaG Fr= 1--     -0.0000                -0.1571                -0.0000
 Gamma2 Fr= 1--      2.7848               -13.5598                -0.5008
 Delta2 Fr= 1--      1.9899                -0.4197                -0.2440
 Raman1 Fr= 1--       1.230                  2.890                  2.866
 ROA1   Fr= 1--     331.020              -1315.168                -55.887
 CID1   Fr= 1--     269.080               -455.092                -19.502
 Raman2 Fr= 1--       0.527                  1.207                  1.228
 ROA2   Fr= 1--      50.917               -322.076                -10.067
 CID2   Fr= 1--      96.575               -266.873                 -8.197
 Raman3 Fr= 1--       1.054                  2.414                  2.456
 ROA3   Fr= 1--     331.020              -1315.168                -55.887
 CID3   Fr= 1--     313.927               -544.875                -22.753
 RC180  Fr= 1--       0.714                  0.670                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.04  -0.00     0.00  -0.00  -0.04     0.00  -0.00   0.00
     2   7    -0.03  -0.03  -0.04    -0.04  -0.03  -0.05    -0.21  -0.01  -0.00
     3   7     0.04  -0.02   0.20     0.06  -0.04   0.24    -0.01  -0.00  -0.03
     4   7     0.04  -0.02  -0.20    -0.06   0.04   0.24    -0.01  -0.00   0.03
     5   7    -0.03  -0.03   0.04     0.04   0.03  -0.05    -0.21  -0.01   0.00
     6   6     0.02  -0.03  -0.06     0.02  -0.03  -0.08     0.10   0.01   0.02
     7   1     0.04  -0.01  -0.04     0.07  -0.01  -0.06     0.16   0.01   0.02
     8   6     0.00  -0.02  -0.08     0.01  -0.02  -0.09     0.01   0.00   0.01
     9   1    -0.02  -0.04  -0.08    -0.01  -0.05  -0.08    -0.33  -0.01  -0.01
    10   6    -0.01   0.01  -0.06    -0.01   0.03  -0.06    -0.03  -0.01   0.01
    11   1    -0.04  -0.01  -0.12    -0.04   0.01  -0.13    -0.45  -0.02  -0.01
    12   6     0.03  -0.00   0.04     0.02   0.00   0.05     0.24   0.01   0.00
    13   6     0.01  -0.00   0.12     0.02  -0.03   0.15    -0.03  -0.00  -0.03
    14   1    -0.08  -0.05   0.06    -0.10  -0.11   0.07    -0.20  -0.00  -0.04
    15   6    -0.07   0.07   0.12    -0.14   0.06   0.14     0.02  -0.00  -0.01
    16   1    -0.08   0.00   0.15    -0.12   0.22   0.07     0.03   0.03  -0.00
    17   6     0.02  -0.03   0.02    -0.03   0.04  -0.05     0.00   0.00  -0.00
    18   1    -0.15   0.05  -0.04     0.17  -0.06  -0.06     0.01   0.00  -0.00
    19   1    -0.01  -0.18  -0.11    -0.01   0.27  -0.24     0.00   0.01   0.02
    20   6     0.05  -0.04  -0.04     0.02  -0.01  -0.12    -0.01   0.01   0.00
    21   1     0.03   0.16  -0.34     0.02  -0.03  -0.09    -0.01  -0.02   0.05
    22   1    -0.31  -0.08   0.09     0.05   0.05  -0.10     0.04   0.01  -0.01
    23   6     0.05  -0.04   0.04    -0.02   0.01  -0.12    -0.01   0.01  -0.00
    24   1    -0.31  -0.08  -0.09    -0.05  -0.05  -0.10     0.04   0.01   0.01
    25   1     0.03   0.16   0.34    -0.02   0.03  -0.09    -0.01  -0.02  -0.05
    26   6     0.02  -0.03  -0.02     0.03  -0.04  -0.05     0.00   0.00   0.00
    27   1    -0.01  -0.18   0.11     0.01  -0.27  -0.24     0.00   0.01  -0.02
    28   1    -0.15   0.05   0.04    -0.17   0.06  -0.06     0.01   0.00   0.00
    29   6    -0.07   0.07  -0.12     0.14  -0.06   0.14     0.02  -0.00   0.01
    30   1    -0.08   0.00  -0.15     0.12  -0.22   0.07     0.03   0.03   0.00
    31   6     0.01  -0.00  -0.12    -0.02   0.03   0.15    -0.03  -0.00   0.03
    32   1    -0.08  -0.05  -0.06     0.10   0.11   0.07    -0.20  -0.00   0.04
    33   6     0.03  -0.00  -0.04    -0.02  -0.00   0.05     0.24   0.01  -0.00
    34   6    -0.01   0.01   0.06     0.01  -0.03  -0.06    -0.03  -0.01  -0.01
    35   1    -0.04  -0.01   0.12     0.04  -0.01  -0.13    -0.45  -0.02   0.01
    36   6     0.00  -0.02   0.08    -0.01   0.02  -0.09     0.01   0.00  -0.01
    37   1    -0.02  -0.04   0.08     0.01   0.05  -0.08    -0.33  -0.01   0.01
    38   6     0.02  -0.03   0.06    -0.02   0.03  -0.08     0.10   0.01  -0.02
    39   1     0.04  -0.01   0.04    -0.07   0.01  -0.06     0.16   0.01  -0.02
                     31                     32                     33
                      A                      A                      B
 Frequencies --    697.6312               738.1509               741.6840
 Red. masses --      3.7056                 1.3191                 1.3341
 Frc consts  --      1.0626                 0.4235                 0.4324
 IR Inten    --      0.1141                 0.5979               111.5325
 RamAct Fr= 1--      0.9497                 5.8632                 8.0358
  Dep-P Fr= 1--      0.2763                 0.7493                 0.7500
  Dep-U Fr= 1--      0.4330                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0104                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0685                 0.8372                 1.1480
 AlphaG Fr= 1--     -1.2507                 0.0215                -0.0000
 Gamma2 Fr= 1--      1.0440                 2.6888                 4.0004
 Delta2 Fr= 1--     -0.4698                 2.2738                 1.3167
 Raman1 Fr= 1--       3.799                 23.453                 32.143
 ROA1   Fr= 1--      85.193                330.891                426.171
 CID1   Fr= 1--      22.426                 14.109                 13.259
 Raman2 Fr= 1--       0.822                 10.046                 13.776
 ROA2   Fr= 1--      28.814                 46.341                 85.475
 CID2   Fr= 1--      35.037                  4.613                  6.205
 Raman3 Fr= 1--       1.645                 20.092                 27.551
 ROA3   Fr= 1--      85.193                330.891                426.171
 CID3   Fr= 1--      51.795                 16.469                 15.468
 RC180  Fr= 1--      -0.134                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7    -0.21  -0.01  -0.00    -0.02  -0.00   0.00    -0.02  -0.00  -0.00
     3   7     0.01   0.00  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   7    -0.01  -0.00  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.21   0.01  -0.00     0.02   0.00   0.00    -0.02  -0.00   0.00
     6   6     0.09   0.01   0.02    -0.03  -0.00   0.00    -0.01  -0.00   0.00
     7   1     0.18   0.01   0.02     0.24   0.01   0.02     0.22   0.01   0.01
     8   6     0.02   0.00   0.01    -0.05  -0.00   0.00    -0.05  -0.00  -0.00
     9   1    -0.30  -0.01  -0.01     0.57   0.03   0.04     0.57   0.03   0.03
    10   6    -0.03  -0.01   0.01    -0.07  -0.01  -0.00    -0.07  -0.00  -0.00
    11   1    -0.46  -0.03  -0.01     0.30   0.01   0.02     0.32   0.01   0.02
    12   6     0.24   0.01   0.00     0.07   0.00   0.00     0.07   0.00   0.00
    13   6    -0.03   0.00  -0.03     0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.22   0.00  -0.04    -0.06  -0.00  -0.01    -0.06  -0.00  -0.01
    15   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.02  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    17   6     0.01  -0.02   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.01   0.02     0.01  -0.01   0.00    -0.00   0.00  -0.00
    19   1     0.01  -0.02   0.02     0.00   0.00   0.00     0.00  -0.00   0.00
    20   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.01  -0.00   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    24   1     0.01   0.00   0.02     0.00  -0.00   0.00     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   6    -0.01   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.01   0.02   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    28   1    -0.00   0.01   0.02    -0.01   0.01   0.00    -0.00   0.00   0.00
    29   6    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1    -0.00   0.02  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    31   6     0.03  -0.00  -0.03    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    32   1     0.22  -0.00  -0.04     0.06   0.00  -0.01    -0.06  -0.00   0.01
    33   6    -0.24  -0.01   0.00    -0.07  -0.00   0.00     0.07   0.00  -0.00
    34   6     0.03   0.01   0.01     0.07   0.01  -0.00    -0.07  -0.00   0.00
    35   1     0.46   0.03  -0.01    -0.30  -0.01   0.02     0.32   0.01  -0.02
    36   6    -0.02  -0.00   0.01     0.05   0.00   0.00    -0.05  -0.00   0.00
    37   1     0.30   0.01  -0.01    -0.57  -0.03   0.04     0.57   0.03  -0.03
    38   6    -0.09  -0.01   0.02     0.03   0.00   0.00    -0.01  -0.00  -0.00
    39   1    -0.18  -0.01   0.02    -0.24  -0.01   0.02     0.22   0.01  -0.01
                     34                     35                     36
                      A                      B                      A
 Frequencies --    784.2491               808.2602               821.4294
 Red. masses --      2.3116                 3.4449                 1.3973
 Frc consts  --      0.8377                 1.3260                 0.5555
 IR Inten    --     20.6494                11.1505                 0.0683
 RamAct Fr= 1--      2.1344                 1.3196                 1.4563
  Dep-P Fr= 1--      0.2322                 0.7500                 0.4836
  Dep-U Fr= 1--      0.3768                 0.8571                 0.6519
 Alpha2 Fr= 1--      0.0266                 0.0000                 0.0077
 Beta2  Fr= 1--      0.1340                 0.1885                 0.1582
 AlphaG Fr= 1--      0.7058                 0.0000                -1.5483
 Gamma2 Fr= 1--      3.3095                 1.3235                -2.1660
 Delta2 Fr= 1--     -0.0692                -0.2670                 0.2141
 Raman1 Fr= 1--       8.537                  5.278                  5.825
 ROA1   Fr= 1--     315.503                118.508               -201.089
 CID1   Fr= 1--      36.955                 22.452                -34.520
 Raman2 Fr= 1--       1.609                  2.262                  1.899
 ROA2   Fr= 1--      79.982                 33.899                -53.698
 CID2   Fr= 1--      49.722                 14.985                -28.280
 Raman3 Fr= 1--       3.217                  4.524                  3.798
 ROA3   Fr= 1--     315.503                118.508               -201.089
 CID3   Fr= 1--      98.069                 26.194                -52.952
 RC180  Fr= 1--      -0.246                  0.714                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   7    -0.01  -0.01  -0.02     0.00  -0.03  -0.04     0.03  -0.00   0.00
     3   7    -0.02   0.00   0.01    -0.02   0.01  -0.03     0.00   0.00  -0.00
     4   7     0.02  -0.00   0.01    -0.02   0.01   0.03    -0.00  -0.00  -0.00
     5   7     0.01   0.01  -0.02     0.00  -0.03   0.04    -0.03   0.00   0.00
     6   6     0.00  -0.02  -0.05     0.00  -0.03  -0.09    -0.11  -0.00  -0.01
     7   1     0.03  -0.00  -0.04     0.02  -0.00  -0.07     0.50   0.03   0.04
     8   6     0.00  -0.00  -0.05     0.00  -0.00  -0.09     0.00  -0.00   0.00
     9   1     0.03  -0.06  -0.01     0.02  -0.12  -0.01     0.12   0.00   0.01
    10   6    -0.00   0.05  -0.01    -0.00   0.12  -0.01     0.07   0.00   0.00
    11   1    -0.03   0.04  -0.04    -0.03   0.10  -0.06    -0.46  -0.02  -0.03
    12   6     0.02   0.01   0.05     0.00   0.01   0.10    -0.01  -0.00   0.00
    13   6    -0.02  -0.01   0.10    -0.02  -0.02   0.20    -0.01   0.00   0.00
    14   1     0.02   0.04   0.17    -0.05   0.13   0.37     0.08   0.00   0.01
    15   6     0.12   0.04  -0.03     0.05  -0.09  -0.07    -0.00  -0.00  -0.00
    16   1     0.10  -0.07   0.05     0.05  -0.07  -0.08    -0.00  -0.00  -0.01
    17   6     0.05   0.12  -0.01    -0.01  -0.02  -0.05    -0.00  -0.00  -0.00
    18   1    -0.38   0.32  -0.04     0.08  -0.06   0.09     0.02  -0.01  -0.00
    19   1    -0.02  -0.34   0.06     0.01   0.06   0.05     0.00   0.02   0.00
    20   6     0.04   0.05   0.00    -0.04   0.06  -0.04    -0.00  -0.00  -0.00
    21   1     0.03   0.03  -0.11    -0.02  -0.14   0.21    -0.00  -0.00   0.01
    22   1    -0.05  -0.03  -0.01     0.26   0.05  -0.16     0.01  -0.00  -0.00
    23   6    -0.04  -0.05   0.00    -0.04   0.06   0.04     0.00   0.00  -0.00
    24   1     0.05   0.03  -0.01     0.26   0.05   0.16    -0.01   0.00  -0.00
    25   1    -0.03  -0.03  -0.11    -0.02  -0.14  -0.21     0.00   0.00   0.01
    26   6    -0.05  -0.12  -0.01    -0.01  -0.02   0.05     0.00   0.00  -0.00
    27   1     0.02   0.34   0.06     0.01   0.06  -0.05    -0.00  -0.02   0.00
    28   1     0.38  -0.32  -0.04     0.08  -0.06  -0.09    -0.02   0.01  -0.00
    29   6    -0.12  -0.04  -0.03     0.05  -0.09   0.07     0.00   0.00  -0.00
    30   1    -0.10   0.07   0.05     0.05  -0.07   0.08     0.00   0.00  -0.01
    31   6     0.02   0.01   0.10    -0.02  -0.02  -0.20     0.01  -0.00   0.00
    32   1    -0.02  -0.04   0.17    -0.05   0.13  -0.37    -0.08  -0.00   0.01
    33   6    -0.02  -0.01   0.05     0.00   0.01  -0.10     0.01   0.00   0.00
    34   6     0.00  -0.05  -0.01    -0.00   0.12   0.01    -0.07  -0.00   0.00
    35   1     0.03  -0.04  -0.04    -0.03   0.10   0.06     0.46   0.02  -0.03
    36   6    -0.00   0.00  -0.05     0.00  -0.00   0.09    -0.00   0.00   0.00
    37   1    -0.03   0.06  -0.01     0.02  -0.12   0.01    -0.12  -0.00   0.01
    38   6    -0.00   0.02  -0.05     0.00  -0.03   0.09     0.11   0.00  -0.01
    39   1    -0.03   0.00  -0.04     0.02  -0.00   0.07    -0.50  -0.03   0.04
                     37                     38                     39
                      B                      A                      A
 Frequencies --    828.3827               832.4511               852.6933
 Red. masses --      1.3278                 3.5105                 1.7863
 Frc consts  --      0.5369                 1.4333                 0.7652
 IR Inten    --      1.0153                34.8498                13.9749
 RamAct Fr= 1--      1.9435                14.5802                 9.0829
  Dep-P Fr= 1--      0.7500                 0.0907                 0.1956
  Dep-U Fr= 1--      0.8571                 0.1663                 0.3272
 Alpha2 Fr= 1--      0.0000                 0.2612                 0.1248
 Beta2  Fr= 1--      0.2776                 0.4040                 0.4953
 AlphaG Fr= 1--      0.0000                 0.7254                 0.5703
 Gamma2 Fr= 1--     -4.8264                 0.5162                -2.8262
 Delta2 Fr= 1--     -0.1354                 0.8826                 0.1608
 Raman1 Fr= 1--       7.774                 58.321                 36.332
 ROA1   Fr= 1--    -467.670                 77.794               -266.171
 CID1   Fr= 1--     -60.159                  1.334                 -7.326
 Raman2 Fr= 1--       3.332                  4.848                  5.944
 ROA2   Fr= 1--    -114.751                  5.327                -69.116
 CID2   Fr= 1--     -34.442                  1.099                -11.628
 Raman3 Fr= 1--       6.663                  9.697                 11.888
 ROA3   Fr= 1--    -467.670                 77.794               -266.171
 CID3   Fr= 1--     -70.185                  8.023                -22.389
 RC180  Fr= 1--       0.714                 -0.667                 -0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00   0.00     0.00  -0.00   0.02     0.00  -0.00  -0.00
     2   7    -0.02  -0.00  -0.00    -0.00  -0.02  -0.03     0.00   0.01   0.00
     3   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.07     0.01  -0.01   0.02
     4   7    -0.01  -0.00   0.00     0.01  -0.00  -0.07    -0.01   0.01   0.02
     5   7    -0.02  -0.00   0.00     0.00   0.02  -0.03    -0.00  -0.01   0.00
     6   6     0.08   0.00   0.00     0.01  -0.03  -0.08    -0.01   0.00   0.01
     7   1    -0.42  -0.02  -0.03    -0.02  -0.01  -0.06     0.04   0.00   0.01
     8   6     0.02   0.00   0.00     0.00  -0.00  -0.07     0.01  -0.00   0.01
     9   1    -0.23  -0.01  -0.01     0.00  -0.12   0.00    -0.03   0.02  -0.00
    10   6    -0.08  -0.00  -0.00    -0.01   0.11  -0.00    -0.00  -0.02  -0.00
    11   1     0.50   0.03   0.03     0.01   0.10  -0.02     0.02  -0.02   0.00
    12   6     0.01  -0.00   0.00     0.00   0.01   0.08    -0.01   0.00  -0.01
    13   6     0.01  -0.00   0.00    -0.01  -0.04   0.15     0.01  -0.00  -0.02
    14   1    -0.08   0.00  -0.00    -0.06   0.10   0.31    -0.02  -0.05  -0.07
    15   6     0.00  -0.00  -0.00     0.02  -0.05  -0.09    -0.04   0.05   0.01
    16   1     0.00   0.00   0.00     0.01  -0.07  -0.13    -0.03   0.09   0.01
    17   6     0.00  -0.00  -0.00    -0.02  -0.13  -0.04     0.05  -0.02  -0.07
    18   1    -0.00   0.00   0.00     0.26  -0.26  -0.12    -0.10   0.04  -0.20
    19   1     0.00  -0.00   0.00     0.03   0.15   0.05     0.02  -0.18  -0.28
    20   6    -0.00   0.00  -0.00    -0.08  -0.09   0.09     0.01  -0.08   0.11
    21   1    -0.00  -0.01   0.01    -0.07  -0.04   0.17    -0.02  -0.01  -0.28
    22   1     0.01   0.00  -0.00    -0.03  -0.12   0.05    -0.36  -0.20   0.19
    23   6    -0.00   0.00   0.00     0.08   0.09   0.09    -0.01   0.08   0.11
    24   1     0.01   0.00   0.00     0.03   0.12   0.05     0.36   0.20   0.19
    25   1    -0.00  -0.01  -0.01     0.07   0.04   0.17     0.02   0.01  -0.28
    26   6     0.00  -0.00   0.00     0.02   0.13  -0.04    -0.05   0.02  -0.07
    27   1     0.00  -0.00  -0.00    -0.03  -0.15   0.05    -0.02   0.18  -0.28
    28   1    -0.00   0.00  -0.00    -0.26   0.26  -0.12     0.10  -0.04  -0.20
    29   6     0.00  -0.00   0.00    -0.02   0.05  -0.09     0.04  -0.05   0.01
    30   1     0.00   0.00  -0.00    -0.01   0.07  -0.13     0.03  -0.09   0.01
    31   6     0.01  -0.00  -0.00     0.01   0.04   0.15    -0.01   0.00  -0.02
    32   1    -0.08   0.00   0.00     0.06  -0.10   0.31     0.02   0.05  -0.07
    33   6     0.01  -0.00  -0.00    -0.00  -0.01   0.08     0.01  -0.00  -0.01
    34   6    -0.08  -0.00   0.00     0.01  -0.11  -0.00     0.00   0.02  -0.00
    35   1     0.50   0.03  -0.03    -0.01  -0.10  -0.02    -0.02   0.02   0.00
    36   6     0.02   0.00  -0.00    -0.00   0.00  -0.07    -0.01   0.00   0.01
    37   1    -0.23  -0.01   0.01    -0.00   0.12   0.00     0.03  -0.02  -0.00
    38   6     0.08   0.00  -0.00    -0.01   0.03  -0.08     0.01  -0.00   0.01
    39   1    -0.42  -0.02   0.03     0.02   0.01  -0.06    -0.04  -0.00   0.01
                     40                     41                     42
                      A                      B                      B
 Frequencies --    859.3042               867.2933               882.5731
 Red. masses --      1.3650                 1.3610                 1.8945
 Frc consts  --      0.5938                 0.6032                 0.8695
 IR Inten    --      0.7634                 4.7569                 3.3158
 RamAct Fr= 1--      1.3095                 2.3373                 1.1711
  Dep-P Fr= 1--      0.5798                 0.7500                 0.7500
  Dep-U Fr= 1--      0.7341                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0042                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1602                 0.3339                 0.1673
 AlphaG Fr= 1--      0.2227                -0.0000                -0.0000
 Gamma2 Fr= 1--      1.5171                 0.8696                 1.9588
 Delta2 Fr= 1--      0.3146                -0.1470                 1.8547
 Raman1 Fr= 1--       5.238                  9.349                  4.684
 ROA1   Fr= 1--     155.710                 78.780                247.389
 CID1   Fr= 1--      29.727                  8.426                 52.811
 Raman2 Fr= 1--       1.922                  4.007                  2.008
 ROA2   Fr= 1--      33.894                 22.047                 32.173
 CID2   Fr= 1--      17.630                  5.502                 16.025
 Raman3 Fr= 1--       3.845                  8.014                  4.015
 ROA3   Fr= 1--     155.710                 78.780                247.389
 CID3   Fr= 1--      40.497                  9.831                 61.613
 RC180  Fr= 1--       0.468                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   7    -0.01   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.09
     4   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.09
     5   7     0.01  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6     0.07   0.00   0.01    -0.09  -0.00  -0.00     0.00  -0.00  -0.03
     7   1    -0.39  -0.03  -0.03     0.51   0.02   0.03     0.00  -0.00  -0.03
     8   6    -0.08  -0.00  -0.00     0.08   0.00   0.00     0.00   0.01  -0.01
     9   1     0.43   0.03   0.02    -0.37  -0.02  -0.02    -0.01  -0.05   0.02
    10   6     0.06   0.00   0.00    -0.05  -0.00  -0.00    -0.00   0.04   0.01
    11   1    -0.38  -0.02  -0.02     0.29   0.01   0.02     0.01   0.04   0.02
    12   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.00  -0.01   0.02
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.05   0.04
    14   1     0.03  -0.00  -0.00    -0.01  -0.00  -0.00     0.00   0.01   0.11
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.05  -0.06
    16   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.15  -0.19
    17   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.04  -0.02   0.04
    18   1    -0.00  -0.00  -0.02    -0.00   0.00   0.00     0.17  -0.12  -0.02
    19   1     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.01   0.19  -0.03
    20   6    -0.00  -0.01   0.01    -0.00   0.00  -0.00     0.06  -0.05   0.09
    21   1    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.04   0.33  -0.16
    22   1    -0.02  -0.01   0.01     0.00   0.00  -0.00    -0.32  -0.04   0.25
    23   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.06  -0.05  -0.09
    24   1     0.02   0.01   0.01     0.00   0.00   0.00    -0.32  -0.04  -0.25
    25   1     0.00   0.00  -0.01    -0.00  -0.00  -0.00     0.04   0.33   0.16
    26   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.04  -0.02  -0.04
    27   1    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.01   0.19   0.03
    28   1     0.00   0.00  -0.02    -0.00   0.00  -0.00     0.17  -0.12   0.02
    29   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.05   0.06
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.15   0.19
    31   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.05  -0.04
    32   1    -0.03   0.00  -0.00    -0.01  -0.00   0.00     0.00   0.01  -0.11
    33   6     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.01  -0.02
    34   6    -0.06  -0.00   0.00    -0.05  -0.00   0.00    -0.00   0.04  -0.01
    35   1     0.38   0.02  -0.02     0.29   0.01  -0.02     0.01   0.04  -0.02
    36   6     0.08   0.00  -0.00     0.08   0.00  -0.00     0.00   0.01   0.01
    37   1    -0.43  -0.03   0.02    -0.37  -0.02   0.02    -0.01  -0.05  -0.02
    38   6    -0.07  -0.00   0.01    -0.09  -0.00   0.00     0.00  -0.00   0.03
    39   1     0.39   0.03  -0.03     0.51   0.02  -0.03     0.00  -0.00   0.03
                     43                     44                     45
                      A                      B                      A
 Frequencies --    898.9353               922.0811               923.8041
 Red. masses --      2.1004                 4.6200                 4.5902
 Frc consts  --      1.0000                 2.3144                 2.3080
 IR Inten    --      2.8552                 1.7102                 3.9066
 RamAct Fr= 1--      0.7934                33.4698                 2.3753
  Dep-P Fr= 1--      0.6327                 0.7500                 0.7388
  Dep-U Fr= 1--      0.7750                 0.8571                 0.8498
 Alpha2 Fr= 1--      0.0017                 0.0000                 0.0005
 Beta2  Fr= 1--      0.1025                 4.7814                 0.3364
 AlphaG Fr= 1--      0.2012                -0.0000                -0.0142
 Gamma2 Fr= 1--      3.5847                -0.3611                 2.2595
 Delta2 Fr= 1--      0.3314                -3.0414                 1.0626
 Raman1 Fr= 1--       3.173                133.879                  9.501
 ROA1   Fr= 1--     354.739               -131.990                250.912
 CID1   Fr= 1--     111.782                 -0.986                 26.409
 Raman2 Fr= 1--       1.230                 57.377                  4.037
 ROA2   Fr= 1--      83.382                 15.665                 45.726
 CID2   Fr= 1--      67.803                  0.273                 11.327
 Raman3 Fr= 1--       2.460                114.754                  8.074
 ROA3   Fr= 1--     354.739               -131.990                250.912
 CID3   Fr= 1--     144.230                 -1.150                 31.078
 RC180  Fr= 1--       0.550                  0.714                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.01    -0.00   0.01   0.00     0.00  -0.00   0.01
     2   7     0.00  -0.00  -0.00     0.01  -0.02  -0.13     0.01  -0.02  -0.13
     3   7     0.01   0.00  -0.06    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
     4   7    -0.01  -0.00  -0.06    -0.00  -0.01   0.00     0.00   0.01   0.00
     5   7    -0.00   0.00  -0.00     0.01  -0.02   0.13    -0.01   0.02  -0.13
     6   6    -0.00  -0.00  -0.02     0.00   0.14  -0.18     0.01   0.14  -0.18
     7   1     0.01   0.00  -0.01     0.02   0.04  -0.28     0.00   0.03  -0.29
     8   6    -0.00   0.00  -0.01    -0.02   0.13   0.18    -0.02   0.13   0.18
     9   1     0.02  -0.04   0.02    -0.02   0.02   0.25    -0.01   0.02   0.25
    10   6     0.00   0.04   0.01     0.00  -0.14   0.07     0.00  -0.14   0.07
    11   1    -0.03   0.04   0.01     0.02  -0.25  -0.32     0.02  -0.25  -0.32
    12   6    -0.02  -0.00   0.02     0.00  -0.11   0.02     0.00  -0.11   0.01
    13   6     0.04  -0.02   0.03     0.01  -0.01   0.05     0.01  -0.01   0.05
    14   1    -0.17   0.06   0.10    -0.06   0.05   0.13    -0.05   0.06   0.13
    15   6    -0.12  -0.02  -0.05    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.10   0.09  -0.14    -0.01  -0.02   0.01     0.00  -0.00  -0.01
    17   6     0.02  -0.02   0.08     0.01   0.01   0.00    -0.00  -0.00  -0.00
    18   1    -0.01   0.00   0.42    -0.03   0.02   0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.07  -0.19     0.00  -0.03   0.00     0.00   0.00   0.00
    20   6     0.10   0.07  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    21   1     0.08   0.07  -0.27    -0.00  -0.04  -0.00    -0.00  -0.00   0.00
    22   1    -0.14   0.16   0.15     0.02   0.00  -0.01     0.00  -0.01  -0.00
    23   6    -0.10  -0.07  -0.00    -0.00  -0.00   0.01     0.00   0.00   0.00
    24   1     0.14  -0.16   0.15     0.02   0.00   0.01    -0.00   0.01  -0.00
    25   1    -0.08  -0.07  -0.27    -0.00  -0.04   0.00     0.00   0.00   0.00
    26   6    -0.02   0.02   0.08     0.01   0.01  -0.00     0.00   0.00  -0.00
    27   1    -0.01   0.07  -0.19     0.00  -0.03  -0.00    -0.00  -0.00   0.00
    28   1     0.01  -0.00   0.42    -0.03   0.02  -0.02    -0.00   0.00  -0.00
    29   6     0.12   0.02  -0.05    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.10  -0.09  -0.14    -0.01  -0.02  -0.01    -0.00   0.00  -0.01
    31   6    -0.04   0.02   0.03     0.01  -0.01  -0.05    -0.01   0.01   0.05
    32   1     0.17  -0.06   0.10    -0.06   0.05  -0.13     0.05  -0.06   0.13
    33   6     0.02   0.00   0.02     0.00  -0.11  -0.02    -0.00   0.11   0.01
    34   6    -0.00  -0.04   0.01     0.00  -0.14  -0.07    -0.00   0.14   0.07
    35   1     0.03  -0.04   0.01     0.02  -0.25   0.32    -0.02   0.25  -0.32
    36   6     0.00  -0.00  -0.01    -0.02   0.13  -0.18     0.02  -0.13   0.18
    37   1    -0.02   0.04   0.02    -0.02   0.02  -0.25     0.01  -0.02   0.25
    38   6     0.00   0.00  -0.02     0.00   0.14   0.18    -0.01  -0.14  -0.18
    39   1    -0.01  -0.00  -0.01     0.02   0.04   0.28    -0.00  -0.03  -0.29
                     46                     47                     48
                      B                      B                      A
 Frequencies --    943.0352               959.2096               960.7671
 Red. masses --      1.8257                 1.6034                 1.4773
 Frc consts  --      0.9566                 0.8692                 0.8034
 IR Inten    --      6.5759                11.6951                 4.8305
 RamAct Fr= 1--      0.2833                 0.3417                15.8023
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3118
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4754
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1564
 Beta2  Fr= 1--      0.0405                 0.0488                 1.2520
 AlphaG Fr= 1--     -0.0000                -0.0000                -1.8915
 Gamma2 Fr= 1--      0.1208                 2.2308               -21.6030
 Delta2 Fr= 1--     -0.2332                 0.2644                 0.7776
 Raman1 Fr= 1--       1.133                  1.367                 63.209
 ROA1   Fr= 1--       4.134                222.615              -2049.007
 CID1   Fr= 1--       3.648                162.881                -32.416
 Raman2 Fr= 1--       0.486                  0.586                 15.024
 ROA2   Fr= 1--       4.765                 51.423               -524.694
 CID2   Fr= 1--       9.811                 87.790                -34.924
 Raman3 Fr= 1--       0.971                  1.171                 30.047
 ROA3   Fr= 1--       4.134                222.615              -2049.007
 CID3   Fr= 1--       4.256                190.028                -68.192
 RC180  Fr= 1--       0.714                  0.714                 -0.049
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   7    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     3   7    -0.01   0.01   0.08     0.03   0.01  -0.03     0.04   0.00   0.00
     4   7    -0.01   0.01  -0.08     0.03   0.01   0.03    -0.04  -0.00   0.00
     5   7    -0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.01     0.01   0.00  -0.01     0.00   0.00  -0.00
     7   1    -0.02   0.00   0.00    -0.05   0.01   0.00    -0.04   0.00  -0.01
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1    -0.01   0.04  -0.02    -0.01  -0.04   0.02    -0.01  -0.02   0.01
    10   6    -0.00  -0.03  -0.01    -0.01   0.02   0.00    -0.01   0.00  -0.00
    11   1     0.02  -0.04  -0.05     0.05   0.02  -0.00     0.06  -0.00  -0.02
    12   6     0.01   0.00  -0.01     0.04  -0.00   0.01     0.04  -0.00   0.01
    13   6    -0.04   0.06  -0.01    -0.12  -0.01  -0.00    -0.13  -0.00  -0.01
    14   1     0.18   0.02  -0.04     0.60   0.02   0.09     0.67   0.00   0.07
    15   6     0.05  -0.05   0.01    -0.01  -0.01  -0.00    -0.02   0.00  -0.01
    16   1     0.07   0.15  -0.06    -0.03  -0.14  -0.01    -0.02   0.02  -0.08
    17   6    -0.11  -0.02   0.01     0.01   0.07   0.04    -0.01  -0.01   0.01
    18   1     0.27  -0.19   0.07    -0.14   0.14   0.08     0.02  -0.02   0.06
    19   1    -0.04   0.37   0.10    -0.01  -0.09   0.07    -0.00   0.02  -0.07
    20   6     0.04   0.00  -0.07     0.01  -0.04  -0.01     0.02   0.01   0.00
    21   1     0.05   0.25   0.07     0.01  -0.07  -0.06     0.02   0.01  -0.06
    22   1     0.00  -0.18  -0.16    -0.02  -0.10  -0.04    -0.04   0.03   0.04
    23   6     0.04   0.00   0.07     0.01  -0.04   0.01    -0.02  -0.01   0.00
    24   1     0.00  -0.18   0.16    -0.02  -0.10   0.04     0.04  -0.03   0.04
    25   1     0.05   0.25  -0.07     0.01  -0.07   0.06    -0.02  -0.01  -0.06
    26   6    -0.11  -0.02  -0.01     0.01   0.07  -0.04     0.01   0.01   0.01
    27   1    -0.04   0.37  -0.10    -0.01  -0.09  -0.07     0.00  -0.02  -0.07
    28   1     0.27  -0.19  -0.07    -0.14   0.14  -0.08    -0.02   0.02   0.06
    29   6     0.05  -0.05  -0.01    -0.01  -0.01   0.00     0.02  -0.00  -0.01
    30   1     0.07   0.15   0.06    -0.03  -0.14   0.01     0.02  -0.02  -0.08
    31   6    -0.04   0.06   0.01    -0.12  -0.01   0.00     0.13   0.00  -0.01
    32   1     0.18   0.02   0.04     0.60   0.02  -0.09    -0.67  -0.00   0.07
    33   6     0.01   0.00   0.01     0.04  -0.00  -0.01    -0.04   0.00   0.01
    34   6    -0.00  -0.03   0.01    -0.01   0.02  -0.00     0.01  -0.00  -0.00
    35   1     0.02  -0.04   0.05     0.05   0.02   0.00    -0.06   0.00  -0.02
    36   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    37   1    -0.01   0.04   0.02    -0.01  -0.04  -0.02     0.01   0.02   0.01
    38   6     0.00   0.00  -0.01     0.01   0.00   0.01    -0.00  -0.00  -0.00
    39   1    -0.02   0.00  -0.00    -0.05   0.01  -0.00     0.04  -0.00  -0.01
                     49                     50                     51
                      B                      B                      A
 Frequencies --    962.9280              1007.2084              1012.3833
 Red. masses --      2.0879                 2.1310                 2.2758
 Frc consts  --      1.1406                 1.2737                 1.3743
 IR Inten    --      3.0803                16.1337                16.0644
 RamAct Fr= 1--     19.4148                14.4156               121.9611
  Dep-P Fr= 1--      0.7500                 0.7500                 0.1513
  Dep-U Fr= 1--      0.8571                 0.8571                 0.2628
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.8793
 Beta2  Fr= 1--      2.7735                 2.0594                 5.3418
 AlphaG Fr= 1--     -0.0000                 0.0000                 2.1597
 Gamma2 Fr= 1--     21.7478                23.4631               -14.3090
 Delta2 Fr= 1--      3.2235                 6.1654               -13.5531
 Raman1 Fr= 1--      77.659                 57.663                487.845
 ROA1   Fr= 1--    2190.941               2449.747              -1807.362
 CID1   Fr= 1--      28.212                 42.484                 -3.705
 Raman2 Fr= 1--      33.283                 24.713                 64.102
 ROA2   Fr= 1--     496.159                513.791               -234.991
 CID2   Fr= 1--      14.907                 20.791                 -3.666
 Raman3 Fr= 1--      66.565                 49.425                128.203
 ROA3   Fr= 1--    2190.941               2449.747              -1807.362
 CID3   Fr= 1--      32.914                 49.565                -14.098
 RC180  Fr= 1--       0.714                  0.714                 -0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00  -0.02   0.00    -0.00   0.00  -0.00
     2   7    -0.00  -0.01   0.01    -0.01   0.16  -0.01    -0.01   0.17  -0.01
     3   7    -0.02   0.00  -0.04    -0.00   0.01  -0.01    -0.00   0.01   0.00
     4   7    -0.02   0.00   0.04    -0.00   0.01   0.01     0.00  -0.01   0.00
     5   7    -0.00  -0.01  -0.01    -0.01   0.16   0.01     0.01  -0.17  -0.01
     6   6    -0.00  -0.00  -0.00    -0.00  -0.06   0.05    -0.00  -0.06   0.05
     7   1     0.03   0.02   0.01     0.03  -0.37  -0.24     0.05  -0.35  -0.23
     8   6    -0.00   0.00  -0.01     0.00   0.01   0.00     0.00  -0.00  -0.00
     9   1     0.01  -0.02   0.01    -0.01   0.38  -0.23    -0.01   0.40  -0.25
    10   6     0.01   0.02   0.01     0.01  -0.08  -0.03     0.01  -0.10  -0.04
    11   1    -0.04   0.03   0.04     0.01  -0.10  -0.07     0.01  -0.11  -0.06
    12   6    -0.02  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    13   6     0.07   0.00   0.00    -0.01  -0.02   0.06    -0.01  -0.01   0.07
    14   1    -0.39   0.05   0.02    -0.00   0.07   0.17    -0.01   0.07   0.17
    15   6     0.01  -0.04   0.01    -0.00   0.00  -0.02     0.00  -0.01  -0.03
    16   1     0.01  -0.08   0.03    -0.00  -0.00  -0.03     0.00  -0.00  -0.03
    17   6    -0.03   0.12   0.10     0.00   0.00   0.02     0.00  -0.01   0.00
    18   1    -0.12   0.17   0.21    -0.01   0.01   0.07     0.01  -0.02   0.04
    19   1    -0.04  -0.00   0.23     0.00  -0.02   0.02     0.00  -0.00   0.01
    20   6     0.04  -0.08  -0.07     0.00  -0.01  -0.00     0.00   0.00   0.01
    21   1     0.04   0.00  -0.08     0.00  -0.03  -0.02     0.00   0.01   0.01
    22   1    -0.04  -0.32  -0.18     0.00  -0.02  -0.01    -0.00   0.01   0.01
    23   6     0.04  -0.08   0.07     0.00  -0.01   0.00    -0.00  -0.00   0.01
    24   1    -0.04  -0.32   0.18     0.00  -0.02   0.01     0.00  -0.01   0.01
    25   1     0.04   0.00   0.08     0.00  -0.03   0.02    -0.00  -0.01   0.01
    26   6    -0.03   0.12  -0.10     0.00   0.00  -0.02    -0.00   0.01   0.00
    27   1    -0.04  -0.00  -0.23     0.00  -0.02  -0.02    -0.00   0.00   0.01
    28   1    -0.12   0.17  -0.21    -0.01   0.01  -0.07    -0.01   0.02   0.04
    29   6     0.01  -0.04  -0.01    -0.00   0.00   0.02    -0.00   0.01  -0.03
    30   1     0.01  -0.08  -0.03    -0.00  -0.00   0.03    -0.00   0.00  -0.03
    31   6     0.07   0.00  -0.00    -0.01  -0.02  -0.06     0.01   0.01   0.07
    32   1    -0.39   0.05  -0.02    -0.00   0.07  -0.17     0.01  -0.07   0.17
    33   6    -0.02  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    34   6     0.01   0.02  -0.01     0.01  -0.08   0.03    -0.01   0.10  -0.04
    35   1    -0.04   0.03  -0.04     0.01  -0.10   0.07    -0.01   0.11  -0.06
    36   6    -0.00   0.00   0.01     0.00   0.01  -0.00    -0.00   0.00  -0.00
    37   1     0.01  -0.02  -0.01    -0.01   0.38   0.23     0.01  -0.40  -0.25
    38   6    -0.00  -0.00   0.00    -0.00  -0.06  -0.05     0.00   0.06   0.05
    39   1     0.03   0.02  -0.01     0.03  -0.37   0.24    -0.05   0.35  -0.23
                     52                     53                     54
                      B                      B                      A
 Frequencies --   1061.9465              1063.6222              1064.2156
 Red. masses --      1.4776                 1.5365                 1.3924
 Frc consts  --      0.9818                 1.0241                 0.9291
 IR Inten    --     47.5000                39.5892               146.9072
 RamAct Fr= 1--     79.9997                29.7571               145.8290
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3415
  Dep-U Fr= 1--      0.8571                 0.8571                 0.5091
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.3158
 Beta2  Fr= 1--     11.4285                 4.2510                12.3738
 AlphaG Fr= 1--     -0.0000                -0.0000                 3.3859
 Gamma2 Fr= 1--     55.6114                24.0238               -14.6213
 Delta2 Fr= 1--     19.9114                 2.6473               -21.2427
 Raman1 Fr= 1--     319.999                119.028                583.316
 ROA1   Fr= 1--    5975.856               2391.001              -2083.412
 CID1   Fr= 1--      18.675                 20.088                 -3.572
 Raman2 Fr= 1--     137.142                 51.012                148.486
 ROA2   Fr= 1--    1175.381                555.394               -180.970
 CID2   Fr= 1--       8.571                 10.887                 -1.219
 Raman3 Fr= 1--     274.285                102.024                296.971
 ROA3   Fr= 1--    5975.856               2391.001              -2083.412
 CID3   Fr= 1--      21.787                 23.436                 -7.016
 RC180  Fr= 1--       0.714                  0.714                  0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   7     0.00  -0.05  -0.01    -0.00   0.04   0.01     0.00  -0.06  -0.01
     3   7     0.01  -0.01  -0.01     0.01   0.00  -0.01     0.00  -0.01  -0.01
     4   7     0.01  -0.01   0.01     0.01   0.00   0.01    -0.00   0.01  -0.01
     5   7     0.00  -0.05   0.01    -0.00   0.04  -0.01    -0.00   0.06  -0.01
     6   6     0.00   0.01  -0.03    -0.00   0.01   0.02     0.00   0.01  -0.04
     7   1    -0.01   0.05   0.01    -0.00   0.00   0.02    -0.00   0.04  -0.01
     8   6     0.00   0.03  -0.04     0.00  -0.04   0.03     0.00   0.05  -0.05
     9   1    -0.00   0.27  -0.18     0.00  -0.29   0.18    -0.00   0.37  -0.25
    10   6    -0.00  -0.02   0.06     0.00   0.02  -0.05    -0.00  -0.03   0.07
    11   1    -0.03   0.08   0.43     0.02  -0.05  -0.31    -0.03   0.09   0.52
    12   6     0.00  -0.01  -0.02    -0.00   0.00   0.01     0.00  -0.01  -0.02
    13   6    -0.01  -0.01   0.01     0.00  -0.02  -0.01    -0.00   0.00   0.01
    14   1     0.03   0.00   0.03     0.01  -0.04  -0.03     0.02   0.03   0.05
    15   6    -0.02   0.05   0.00    -0.03   0.06  -0.01     0.00   0.00   0.01
    16   1    -0.01   0.20  -0.10    -0.01   0.27  -0.08    -0.00  -0.00  -0.02
    17   6     0.00  -0.04   0.05     0.01  -0.05   0.06    -0.01   0.01   0.01
    18   1     0.05  -0.06   0.24     0.06  -0.07   0.31    -0.00   0.00   0.01
    19   1     0.01   0.01  -0.07     0.01   0.01  -0.06    -0.01   0.01  -0.01
    20   6     0.00   0.01  -0.05     0.00   0.01  -0.06     0.00  -0.01  -0.01
    21   1    -0.00  -0.20  -0.06    -0.00  -0.23  -0.07     0.00  -0.02  -0.03
    22   1     0.07   0.06  -0.05     0.08   0.06  -0.06    -0.01  -0.03  -0.01
    23   6     0.00   0.01   0.05     0.00   0.01   0.06    -0.00   0.01  -0.01
    24   1     0.07   0.06   0.05     0.08   0.06   0.06     0.01   0.03  -0.01
    25   1    -0.00  -0.20   0.06    -0.00  -0.23   0.07    -0.00   0.02  -0.03
    26   6     0.00  -0.04  -0.05     0.01  -0.05  -0.06     0.01  -0.01   0.01
    27   1     0.01   0.01   0.07     0.01   0.01   0.06     0.01  -0.01  -0.01
    28   1     0.05  -0.06  -0.24     0.06  -0.07  -0.31     0.00  -0.00   0.01
    29   6    -0.02   0.05  -0.00    -0.03   0.06   0.01    -0.00  -0.00   0.01
    30   1    -0.01   0.20   0.10    -0.01   0.27   0.08     0.00   0.00  -0.02
    31   6    -0.01  -0.01  -0.01     0.00  -0.02   0.01     0.00  -0.00   0.01
    32   1     0.03   0.00  -0.03     0.01  -0.04   0.03    -0.02  -0.03   0.05
    33   6     0.00  -0.01   0.02    -0.00   0.00  -0.01    -0.00   0.01  -0.02
    34   6    -0.00  -0.02  -0.06     0.00   0.02   0.05     0.00   0.03   0.07
    35   1    -0.03   0.08  -0.43     0.02  -0.05   0.31     0.03  -0.09   0.52
    36   6     0.00   0.03   0.04     0.00  -0.04  -0.03    -0.00  -0.05  -0.05
    37   1    -0.00   0.27   0.18     0.00  -0.29  -0.18     0.00  -0.37  -0.25
    38   6     0.00   0.01   0.03    -0.00   0.01  -0.02    -0.00  -0.01  -0.04
    39   1    -0.01   0.05  -0.01    -0.00   0.00  -0.02     0.00  -0.04  -0.01
                     55                     56                     57
                      A                      A                      B
 Frequencies --   1074.1941              1078.4917              1100.5498
 Red. masses --      4.0317                 1.7311                 1.9122
 Frc consts  --      2.7409                 1.1863                 1.3646
 IR Inten    --     12.6541                 0.6377                 5.8839
 RamAct Fr= 1--     18.3778                10.7998                10.3214
  Dep-P Fr= 1--      0.1855                 0.4388                 0.7500
  Dep-U Fr= 1--      0.3130                 0.6100                 0.8571
 Alpha2 Fr= 1--      0.2593                 0.0692                 0.0000
 Beta2  Fr= 1--      0.9586                 1.0979                 1.4745
 AlphaG Fr= 1--      0.0045                 0.1835                 0.0000
 Gamma2 Fr= 1--     19.8425                -0.2043                 3.0055
 Delta2 Fr= 1--     15.1051                -0.3453                -2.6063
 Raman1 Fr= 1--      73.511                 43.199                 41.285
 ROA1   Fr= 1--    2388.244                -30.660                205.122
 CID1   Fr= 1--      32.488                 -0.710                  4.968
 Raman2 Fr= 1--      11.503                 13.175                 17.694
 ROA2   Fr= 1--     355.380                 -2.141                 92.981
 CID2   Fr= 1--      30.894                 -0.162                  5.255
 Raman3 Fr= 1--      23.006                 26.349                 35.388
 ROA3   Fr= 1--    2388.244                -30.660                205.122
 CID3   Fr= 1--     103.808                 -1.164                  5.796
 RC180  Fr= 1--      -0.374                  0.220                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   7    -0.00   0.05   0.00     0.00  -0.01  -0.00    -0.00   0.05  -0.00
     3   7     0.04   0.02  -0.16     0.00   0.00   0.01     0.03   0.01  -0.07
     4   7    -0.04  -0.02  -0.16    -0.00  -0.00   0.01     0.03   0.01   0.07
     5   7     0.00  -0.05   0.00    -0.00   0.01  -0.00    -0.00   0.05   0.00
     6   6    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.04  -0.01
     7   1     0.01  -0.05  -0.06    -0.00   0.02   0.01    -0.01   0.09   0.04
     8   6     0.00  -0.01   0.01     0.00   0.00  -0.00     0.00  -0.04  -0.02
     9   1     0.01  -0.09   0.05     0.00   0.03  -0.02     0.01  -0.12   0.03
    10   6    -0.00   0.03  -0.00    -0.00  -0.01   0.01     0.00  -0.02   0.00
    11   1    -0.01   0.05   0.08    -0.00   0.00   0.05    -0.01   0.02   0.17
    12   6     0.00  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.01
    13   6     0.00  -0.12   0.01     0.00  -0.01   0.00    -0.00  -0.06   0.02
    14   1     0.01  -0.04   0.11     0.00  -0.04  -0.04     0.01  -0.00   0.09
    15   6    -0.02   0.22   0.12     0.02   0.05  -0.00    -0.03   0.08   0.08
    16   1     0.01   0.33   0.13     0.02   0.06   0.02    -0.05  -0.16   0.27
    17   6     0.01  -0.01   0.10     0.03  -0.06  -0.06    -0.00  -0.06   0.00
    18   1    -0.02   0.00  -0.28     0.04  -0.06  -0.26     0.05  -0.09  -0.20
    19   1     0.02   0.02   0.23     0.04  -0.01  -0.11     0.02   0.04   0.35
    20   6    -0.02  -0.08  -0.07    -0.00   0.14   0.05    -0.01   0.02  -0.06
    21   1    -0.01  -0.14  -0.04     0.01   0.24   0.21     0.02   0.23   0.19
    22   1     0.06   0.20   0.06     0.09   0.46   0.22     0.08  -0.08  -0.15
    23   6     0.02   0.08  -0.07     0.00  -0.14   0.05    -0.01   0.02   0.06
    24   1    -0.06  -0.20   0.06    -0.09  -0.46   0.22     0.08  -0.08   0.15
    25   1     0.01   0.14  -0.04    -0.01  -0.24   0.21     0.02   0.23  -0.19
    26   6    -0.01   0.01   0.10    -0.03   0.06  -0.06    -0.00  -0.06  -0.00
    27   1    -0.02  -0.02   0.23    -0.04   0.01  -0.11     0.02   0.04  -0.35
    28   1     0.02  -0.00  -0.28    -0.04   0.06  -0.26     0.05  -0.09   0.20
    29   6     0.02  -0.22   0.12    -0.02  -0.05  -0.00    -0.03   0.08  -0.08
    30   1    -0.01  -0.33   0.13    -0.02  -0.06   0.02    -0.05  -0.16  -0.27
    31   6    -0.00   0.12   0.01    -0.00   0.01   0.00    -0.00  -0.06  -0.02
    32   1    -0.01   0.04   0.11    -0.00   0.04  -0.04     0.01  -0.00  -0.09
    33   6    -0.00   0.03  -0.01     0.00  -0.00  -0.00     0.00  -0.02   0.01
    34   6     0.00  -0.03  -0.00     0.00   0.01   0.01     0.00  -0.02  -0.00
    35   1     0.01  -0.05   0.08     0.00  -0.00   0.05    -0.01   0.02  -0.17
    36   6    -0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00  -0.04   0.02
    37   1    -0.01   0.09   0.05    -0.00  -0.03  -0.02     0.01  -0.12  -0.03
    38   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.04   0.01
    39   1    -0.01   0.05  -0.06     0.00  -0.02   0.01    -0.01   0.09  -0.04
                     58                     59                     60
                      B                      A                      A
 Frequencies --   1105.1744              1111.4035              1115.5841
 Red. masses --      2.4686                 2.2619                 2.7589
 Frc consts  --      1.7765                 1.6461                 2.0230
 IR Inten    --      1.6981                 2.1472                15.9117
 RamAct Fr= 1--     30.1581               239.8457                10.9715
  Dep-P Fr= 1--      0.7500                 0.1795                 0.3766
  Dep-U Fr= 1--      0.8571                 0.3044                 0.5471
 Alpha2 Fr= 1--      0.0000                 3.4369                 0.0882
 Beta2  Fr= 1--      4.3083                12.1692                 1.0004
 AlphaG Fr= 1--      0.0000                 5.8403                -0.0277
 Gamma2 Fr= 1--     98.9517               -35.0724                 9.6546
 Delta2 Fr= 1--     32.3728               -21.7142                -3.5372
 Raman1 Fr= 1--     120.632                959.383                 43.886
 ROA1   Fr= 1--   10535.291              -4061.806                813.656
 CID1   Fr= 1--      87.334                 -4.234                 18.540
 Raman2 Fr= 1--      51.700                146.031                 12.005
 ROA2   Fr= 1--    2115.858               -668.024                260.009
 CID2   Fr= 1--      40.926                 -4.575                 21.658
 Raman3 Fr= 1--     103.399                292.062                 24.010
 ROA3   Fr= 1--   10535.291              -4061.806                813.656
 CID3   Fr= 1--     101.890                -13.907                 33.888
 RC180  Fr= 1--       0.714                 -0.391                  0.094
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   7    -0.00   0.10  -0.01    -0.00   0.10  -0.00     0.00   0.00   0.00
     3   7    -0.02   0.00   0.04     0.00   0.01  -0.01     0.03   0.01  -0.10
     4   7    -0.02   0.00  -0.04    -0.00  -0.01  -0.01    -0.03  -0.01  -0.10
     5   7    -0.00   0.10   0.01     0.00  -0.10  -0.00    -0.00  -0.00   0.00
     6   6    -0.01   0.12  -0.00    -0.00   0.13  -0.01     0.00  -0.04  -0.00
     7   1    -0.03   0.38   0.23    -0.04   0.36   0.19     0.02  -0.17  -0.12
     8   6     0.01  -0.11  -0.06     0.01  -0.11  -0.06    -0.00   0.03   0.02
     9   1     0.01  -0.25   0.01     0.01  -0.32   0.06    -0.00   0.05   0.02
    10   6     0.01  -0.11  -0.00     0.00  -0.09  -0.00    -0.00   0.05   0.00
    11   1    -0.01  -0.04   0.29    -0.02  -0.01   0.33    -0.00   0.05  -0.02
    12   6     0.00  -0.00  -0.02     0.00  -0.02  -0.02     0.00  -0.03   0.00
    13   6    -0.00   0.01   0.04    -0.00  -0.02   0.04    -0.00  -0.06  -0.01
    14   1    -0.03   0.10   0.15    -0.01   0.10   0.18     0.03   0.04   0.10
    15   6     0.02  -0.05  -0.05    -0.01  -0.03   0.02    -0.06  -0.08   0.16
    16   1     0.03   0.04  -0.09    -0.01  -0.06   0.07    -0.07  -0.27   0.32
    17   6     0.00   0.03  -0.01     0.01   0.00  -0.03     0.01   0.03  -0.10
    18   1    -0.03   0.05   0.07    -0.01   0.01   0.06    -0.07   0.08   0.10
    19   1    -0.01  -0.02  -0.13     0.00  -0.02  -0.04    -0.01  -0.03  -0.23
    20   6     0.00  -0.01   0.04    -0.01   0.02   0.01    -0.03   0.07   0.03
    21   1    -0.01  -0.06  -0.07    -0.01   0.03   0.04    -0.02   0.10   0.13
    22   1    -0.05   0.02   0.07     0.01  -0.07  -0.05     0.04  -0.22  -0.17
    23   6     0.00  -0.01  -0.04     0.01  -0.02   0.01     0.03  -0.07   0.03
    24   1    -0.05   0.02  -0.07    -0.01   0.07  -0.05    -0.04   0.22  -0.17
    25   1    -0.01  -0.06   0.07     0.01  -0.03   0.04     0.02  -0.10   0.13
    26   6     0.00   0.03   0.01    -0.01  -0.00  -0.03    -0.01  -0.03  -0.10
    27   1    -0.01  -0.02   0.13    -0.00   0.02  -0.04     0.01   0.03  -0.23
    28   1    -0.03   0.05  -0.07     0.01  -0.01   0.06     0.07  -0.08   0.10
    29   6     0.02  -0.05   0.05     0.01   0.03   0.02     0.06   0.08   0.16
    30   1     0.03   0.04   0.09     0.01   0.06   0.07     0.07   0.27   0.32
    31   6    -0.00   0.01  -0.04     0.00   0.02   0.04     0.00   0.06  -0.01
    32   1    -0.03   0.10  -0.15     0.01  -0.10   0.18    -0.03  -0.04   0.10
    33   6     0.00  -0.00   0.02    -0.00   0.02  -0.02    -0.00   0.03   0.00
    34   6     0.01  -0.11   0.00    -0.00   0.09  -0.00     0.00  -0.05   0.00
    35   1    -0.01  -0.04  -0.29     0.02   0.01   0.33     0.00  -0.05  -0.02
    36   6     0.01  -0.11   0.06    -0.01   0.11  -0.06     0.00  -0.03   0.02
    37   1     0.01  -0.25  -0.01    -0.01   0.32   0.06     0.00  -0.05   0.02
    38   6    -0.01   0.12   0.00     0.00  -0.13  -0.01    -0.00   0.04  -0.00
    39   1    -0.03   0.38  -0.23     0.04  -0.36   0.19    -0.02   0.17  -0.12
                     61                     62                     63
                      A                      B                      A
 Frequencies --   1153.1932              1174.2867              1230.0317
 Red. masses --      2.4488                 2.0806                 1.4807
 Frc consts  --      1.9187                 1.6904                 1.3199
 IR Inten    --     11.1596                 1.8121                 3.7457
 RamAct Fr= 1--     35.0090                16.1656               131.3377
  Dep-P Fr= 1--      0.1669                 0.7500                 0.1356
  Dep-U Fr= 1--      0.2860                 0.8571                 0.2388
 Alpha2 Fr= 1--      0.5184                 0.0000                 2.1056
 Beta2  Fr= 1--      1.6689                 2.3094                 5.2268
 AlphaG Fr= 1--      4.0036                 0.0000                 4.9408
 Gamma2 Fr= 1--      7.2708                16.0111                -0.2859
 Delta2 Fr= 1--     -0.4084                 4.7611               -28.5767
 Raman1 Fr= 1--     140.036                 64.662                525.351
 ROA1   Fr= 1--     684.927               1689.418               -941.904
 CID1   Fr= 1--       4.891                 26.127                 -1.793
 Raman2 Fr= 1--      20.027                 27.712                 62.722
 ROA2   Fr= 1--     177.766                346.177                221.752
 CID2   Fr= 1--       8.876                 12.492                  3.535
 Raman3 Fr= 1--      40.054                 55.425                125.444
 ROA3   Fr= 1--     684.927               1689.418               -941.904
 CID3   Fr= 1--      17.100                 30.481                 -7.509
 RC180  Fr= 1--      -0.428                  0.714                 -0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   7     0.00  -0.02  -0.01    -0.00   0.02   0.02    -0.00   0.01   0.04
     3   7     0.02   0.00   0.03     0.02   0.00  -0.06    -0.00  -0.02   0.02
     4   7    -0.02  -0.00   0.03     0.02   0.00   0.06     0.00   0.02   0.02
     5   7    -0.00   0.02  -0.01    -0.00   0.02  -0.02     0.00  -0.01   0.04
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
     7   1    -0.01   0.02   0.02     0.01  -0.10  -0.10     0.02  -0.16  -0.16
     8   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.02  -0.00
     9   1     0.00   0.06  -0.03     0.00  -0.11   0.07     0.00  -0.14   0.09
    10   6    -0.00  -0.00   0.00    -0.00   0.03  -0.01     0.00   0.02  -0.02
    11   1     0.00  -0.01  -0.01    -0.01   0.06   0.10    -0.01   0.06   0.14
    12   6    -0.00   0.01   0.01     0.00  -0.04  -0.01     0.00  -0.05  -0.02
    13   6    -0.00   0.01  -0.00    -0.00  -0.01  -0.02    -0.00   0.03  -0.02
    14   1     0.06  -0.04  -0.04    -0.00   0.17   0.19    -0.00   0.18   0.15
    15   6    -0.14   0.02  -0.08     0.03  -0.06   0.17    -0.05  -0.06  -0.01
    16   1    -0.12   0.10   0.09     0.06   0.15   0.18    -0.07  -0.24  -0.03
    17   6     0.14  -0.02   0.01    -0.06   0.03  -0.03     0.00   0.05   0.03
    18   1    -0.16   0.12   0.12     0.02  -0.00  -0.01    -0.08   0.08  -0.29
    19   1     0.10  -0.34   0.24    -0.06   0.14  -0.46    -0.02  -0.04  -0.03
    20   6    -0.13   0.01  -0.01     0.00   0.01   0.01    -0.02  -0.05  -0.01
    21   1    -0.10  -0.13   0.27    -0.01  -0.16  -0.13    -0.03  -0.11  -0.03
    22   1     0.18  -0.05  -0.16    -0.02   0.03   0.03     0.02   0.33   0.19
    23   6     0.13  -0.01  -0.01     0.00   0.01  -0.01     0.02   0.05  -0.01
    24   1    -0.18   0.05  -0.16    -0.02   0.03  -0.03    -0.02  -0.33   0.19
    25   1     0.10   0.13   0.27    -0.01  -0.16   0.13     0.03   0.11  -0.03
    26   6    -0.14   0.02   0.01    -0.06   0.03   0.03    -0.00  -0.05   0.03
    27   1    -0.10   0.34   0.24    -0.06   0.14   0.46     0.02   0.04  -0.03
    28   1     0.16  -0.12   0.12     0.02  -0.00   0.01     0.08  -0.08  -0.29
    29   6     0.14  -0.02  -0.08     0.03  -0.06  -0.17     0.05   0.06  -0.01
    30   1     0.12  -0.10   0.09     0.06   0.15  -0.18     0.07   0.24  -0.03
    31   6     0.00  -0.01  -0.00    -0.00  -0.01   0.02     0.00  -0.03  -0.02
    32   1    -0.06   0.04  -0.04    -0.00   0.17  -0.19     0.00  -0.18   0.15
    33   6     0.00  -0.01   0.01     0.00  -0.04   0.01    -0.00   0.05  -0.02
    34   6     0.00   0.00   0.00    -0.00   0.03   0.01    -0.00  -0.02  -0.02
    35   1    -0.00   0.01  -0.01    -0.01   0.06  -0.10     0.01  -0.06   0.14
    36   6    -0.00  -0.00   0.00    -0.00   0.01   0.00     0.00  -0.02  -0.00
    37   1    -0.00  -0.06  -0.03     0.00  -0.11  -0.07    -0.00   0.14   0.09
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    39   1     0.01  -0.02   0.02     0.01  -0.10   0.10    -0.02   0.16  -0.16
                     64                     65                     66
                      B                      A                      A
 Frequencies --   1231.3838              1241.1498              1269.4838
 Red. masses --      1.6074                 1.5040                 1.3489
 Frc consts  --      1.4360                 1.3651                 1.2808
 IR Inten    --      0.9850                 6.4924                58.7724
 RamAct Fr= 1--    101.5391                68.1848                49.6079
  Dep-P Fr= 1--      0.7500                 0.2099                 0.2258
  Dep-U Fr= 1--      0.8571                 0.3469                 0.3684
 Alpha2 Fr= 1--      0.0000                 0.9019                 0.6286
 Beta2  Fr= 1--     14.5056                 3.9425                 3.0457
 AlphaG Fr= 1--      0.0000                 2.2592                 4.0332
 Gamma2 Fr= 1--     72.5768               -16.0918                 7.6749
 Delta2 Fr= 1--     20.2206                 0.1038                -3.8744
 Raman1 Fr= 1--     406.156                272.739                198.432
 ROA1   Fr= 1--    7614.434              -1541.491                612.813
 CID1   Fr= 1--      18.748                 -5.652                  3.088
 Raman2 Fr= 1--     174.067                 47.310                 36.548
 ROA2   Fr= 1--    1580.079               -387.033                215.194
 CID2   Fr= 1--       9.077                 -8.181                  5.888
 Raman3 Fr= 1--     348.134                 94.619                 73.096
 ROA3   Fr= 1--    7614.434              -1541.491                612.813
 CID3   Fr= 1--      21.872                -16.292                  8.384
 RC180  Fr= 1--       0.714                 -0.306                 -0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   7     0.01  -0.01  -0.08     0.00  -0.01  -0.06    -0.00   0.00   0.00
     3   7     0.01   0.02  -0.05     0.01   0.01  -0.04     0.01   0.01   0.01
     4   7     0.01   0.02   0.05    -0.01  -0.01  -0.04    -0.01  -0.01   0.01
     5   7     0.01  -0.01   0.08    -0.00   0.01  -0.06     0.00  -0.00   0.00
     6   6    -0.00  -0.02   0.02     0.00  -0.01   0.01    -0.00   0.01  -0.00
     7   1    -0.03   0.30   0.33    -0.03   0.27   0.28     0.01  -0.06  -0.07
     8   6     0.00  -0.04   0.01     0.00  -0.03   0.00     0.00   0.00  -0.01
     9   1    -0.00   0.28  -0.18    -0.00   0.22  -0.15     0.00  -0.02   0.01
    10   6    -0.00  -0.02   0.03    -0.00  -0.02   0.03    -0.00   0.00  -0.01
    11   1     0.02  -0.11  -0.28     0.02  -0.10  -0.25    -0.00   0.02   0.07
    12   6    -0.01   0.07   0.04    -0.00   0.06   0.03    -0.00  -0.02   0.02
    13   6    -0.00  -0.03   0.02    -0.00  -0.02   0.02    -0.00   0.00  -0.00
    14   1     0.01  -0.14  -0.10     0.01  -0.08  -0.05     0.02  -0.05  -0.06
    15   6     0.01  -0.02   0.04    -0.04  -0.04   0.01    -0.06  -0.00  -0.03
    16   1     0.02   0.05   0.16    -0.06  -0.25   0.09    -0.06  -0.09   0.24
    17   6    -0.02   0.01  -0.00    -0.01   0.04   0.01    -0.02  -0.01  -0.03
    18   1     0.01  -0.01   0.01    -0.04   0.05  -0.20     0.02  -0.03  -0.17
    19   1    -0.02   0.05  -0.11    -0.02   0.01   0.02     0.01   0.03   0.50
    20   6     0.00   0.00   0.00     0.00  -0.04  -0.01     0.09   0.00   0.01
    21   1    -0.00  -0.04  -0.03    -0.00  -0.05  -0.04     0.09   0.27  -0.03
    22   1    -0.01  -0.00   0.00    -0.01   0.19   0.13    -0.09  -0.13  -0.00
    23   6     0.00   0.00  -0.00    -0.00   0.04  -0.01    -0.09  -0.00   0.01
    24   1    -0.01  -0.00  -0.00     0.01  -0.19   0.13     0.09   0.13  -0.00
    25   1    -0.00  -0.04   0.03     0.00   0.05  -0.04    -0.09  -0.27  -0.03
    26   6    -0.02   0.01   0.00     0.01  -0.04   0.01     0.02   0.01  -0.03
    27   1    -0.02   0.05   0.11     0.02  -0.01   0.02    -0.01  -0.03   0.50
    28   1     0.01  -0.01  -0.01     0.04  -0.05  -0.20    -0.02   0.03  -0.17
    29   6     0.01  -0.02  -0.04     0.04   0.04   0.01     0.06   0.00  -0.03
    30   1     0.02   0.05  -0.16     0.06   0.25   0.09     0.06   0.09   0.24
    31   6    -0.00  -0.03  -0.02     0.00   0.02   0.02     0.00  -0.00  -0.00
    32   1     0.01  -0.14   0.10    -0.01   0.08  -0.05    -0.02   0.05  -0.06
    33   6    -0.01   0.07  -0.04     0.00  -0.06   0.03     0.00   0.02   0.02
    34   6    -0.00  -0.02  -0.03     0.00   0.02   0.03     0.00  -0.00  -0.01
    35   1     0.02  -0.11   0.28    -0.02   0.10  -0.25     0.00  -0.02   0.07
    36   6     0.00  -0.04  -0.01    -0.00   0.03   0.00    -0.00  -0.00  -0.01
    37   1    -0.00   0.28   0.18     0.00  -0.22  -0.15    -0.00   0.02   0.01
    38   6    -0.00  -0.02  -0.02    -0.00   0.01   0.01     0.00  -0.01  -0.00
    39   1    -0.03   0.30  -0.33     0.03  -0.27   0.28    -0.01   0.06  -0.07
                     67                     68                     69
                      B                      B                      A
 Frequencies --   1270.9014              1291.2566              1297.8477
 Red. masses --      1.2804                 1.5055                 1.5203
 Frc consts  --      1.2185                 1.4790                 1.5088
 IR Inten    --     24.1828                88.2474                63.4680
 RamAct Fr= 1--     17.6675               239.1949               434.4586
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0949
  Dep-U Fr= 1--      0.8571                 0.8571                 0.1734
 Alpha2 Fr= 1--      0.0000                 0.0000                 7.7019
 Beta2  Fr= 1--      2.5239                34.1707                12.5531
 AlphaG Fr= 1--      0.0000                 0.0000                 9.2963
 Gamma2 Fr= 1--     66.6527               241.3555               -15.8176
 Delta2 Fr= 1--     14.7807                81.5045                -9.6278
 Raman1 Fr= 1--      70.670                956.779               1737.834
 ROA1   Fr= 1--    6871.643              25778.271              -1826.584
 CID1   Fr= 1--      97.236                 26.943                 -1.051
 Raman2 Fr= 1--      30.287                410.048                150.638
 ROA2   Fr= 1--    1481.419               5140.496               -302.601
 CID2   Fr= 1--      48.912                 12.536                 -2.009
 Raman3 Fr= 1--      60.574                820.097                301.275
 ROA3   Fr= 1--    6871.643              25778.271              -1826.584
 CID3   Fr= 1--     113.442                 31.433                 -6.063
 RC180  Fr= 1--       0.714                  0.714                 -0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     2   7     0.00  -0.00  -0.01     0.00  -0.01  -0.03     0.00  -0.02  -0.05
     3   7     0.02   0.01   0.01    -0.00  -0.07   0.01     0.00  -0.06   0.02
     4   7     0.02   0.01  -0.01    -0.00  -0.07  -0.01    -0.00   0.06   0.02
     5   7     0.00  -0.00   0.01     0.00  -0.01   0.03    -0.00   0.02  -0.05
     6   6    -0.00   0.01   0.01     0.00  -0.05   0.03    -0.00  -0.04   0.04
     7   1     0.00  -0.03  -0.02    -0.02   0.14   0.22    -0.02   0.13   0.21
     8   6    -0.00  -0.00   0.01    -0.00   0.01   0.04    -0.00   0.01   0.05
     9   1     0.00   0.02  -0.00    -0.00   0.04   0.03    -0.00   0.06   0.03
    10   6    -0.00   0.01  -0.01    -0.00   0.01  -0.00    -0.00   0.03  -0.02
    11   1    -0.00   0.03   0.05     0.01  -0.01  -0.11     0.00   0.02  -0.05
    12   6    -0.00  -0.01   0.01     0.00   0.03  -0.08     0.00   0.02  -0.08
    13   6     0.00  -0.01  -0.01     0.00   0.01  -0.02     0.00  -0.00  -0.02
    14   1     0.02   0.00   0.00    -0.03   0.40   0.43    -0.03   0.41   0.45
    15   6    -0.03  -0.02  -0.01    -0.01   0.02   0.02    -0.00   0.01   0.01
    16   1     0.03   0.35   0.21    -0.02   0.02  -0.17     0.01   0.11  -0.01
    17   6     0.05   0.01  -0.05     0.02  -0.01  -0.00     0.01  -0.01  -0.01
    18   1    -0.05   0.05   0.32    -0.02   0.01  -0.03     0.01  -0.01  -0.04
    19   1     0.04  -0.11  -0.04     0.02  -0.04   0.04     0.01  -0.01   0.12
    20   6    -0.04  -0.01   0.04    -0.01  -0.00  -0.01     0.02   0.01   0.00
    21   1    -0.03   0.27   0.22    -0.00   0.08   0.07     0.02   0.09   0.01
    22   1    -0.04  -0.24  -0.10     0.02  -0.02  -0.03    -0.01  -0.06  -0.03
    23   6    -0.04  -0.01  -0.04    -0.01  -0.00   0.01    -0.02  -0.01   0.00
    24   1    -0.04  -0.24   0.10     0.02  -0.02   0.03     0.01   0.06  -0.03
    25   1    -0.03   0.27  -0.22    -0.00   0.08  -0.07    -0.02  -0.09   0.01
    26   6     0.05   0.01   0.05     0.02  -0.01   0.00    -0.01   0.01  -0.01
    27   1     0.04  -0.11   0.04     0.02  -0.04  -0.04    -0.01   0.01   0.12
    28   1    -0.05   0.05  -0.32    -0.02   0.01   0.03    -0.01   0.01  -0.04
    29   6    -0.03  -0.02   0.01    -0.01   0.02  -0.02     0.00  -0.01   0.01
    30   1     0.03   0.35  -0.21    -0.02   0.02   0.17    -0.01  -0.11  -0.01
    31   6     0.00  -0.01   0.01     0.00   0.01   0.02    -0.00   0.00  -0.02
    32   1     0.02   0.00  -0.00    -0.03   0.40  -0.43     0.03  -0.41   0.45
    33   6    -0.00  -0.01  -0.01     0.00   0.03   0.08    -0.00  -0.02  -0.08
    34   6    -0.00   0.01   0.01    -0.00   0.01   0.00     0.00  -0.03  -0.02
    35   1    -0.00   0.03  -0.05     0.01  -0.01   0.11    -0.00  -0.02  -0.05
    36   6    -0.00  -0.00  -0.01    -0.00   0.01  -0.04     0.00  -0.01   0.05
    37   1     0.00   0.02   0.00    -0.00   0.04  -0.03     0.00  -0.06   0.03
    38   6    -0.00   0.01  -0.01     0.00  -0.05  -0.03     0.00   0.04   0.04
    39   1     0.00  -0.03   0.02    -0.02   0.14  -0.22     0.02  -0.13   0.21
                     70                     71                     72
                      B                      A                      B
 Frequencies --   1310.3522              1321.9010              1325.6541
 Red. masses --      2.0136                 4.0998                 1.6353
 Frc consts  --      2.0370                 4.2209                 1.6932
 IR Inten    --     19.9305               249.3073                 0.4718
 RamAct Fr= 1--     18.0560               313.5159                 7.2431
  Dep-P Fr= 1--      0.7500                 0.6061                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7548                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.8320                 0.0000
 Beta2  Fr= 1--      2.5794                39.4393                 1.0347
 AlphaG Fr= 1--     -0.0000                 5.4697                 0.0000
 Gamma2 Fr= 1--     16.5135               -78.3286               109.1861
 Delta2 Fr= 1--      4.3268               -63.7655                31.8408
 Raman1 Fr= 1--      72.224               1254.064                 28.973
 ROA1   Fr= 1--    1723.757              -9560.039              11500.767
 CID1   Fr= 1--      23.867                 -7.623                396.954
 Raman2 Fr= 1--      30.953                473.271                 12.417
 ROA2   Fr= 1--     361.711              -1369.762               2365.739
 CID2   Fr= 1--      11.686                 -2.894                190.527
 Raman3 Fr= 1--      61.906                946.543                 24.834
 ROA3   Fr= 1--    1723.757              -9560.039              11500.767
 CID3   Fr= 1--      27.845                -10.100                463.113
 RC180  Fr= 1--       0.714                  0.510                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     2   7    -0.01  -0.01   0.10    -0.01  -0.04   0.20     0.00  -0.01  -0.07
     3   7    -0.01  -0.00  -0.02    -0.00  -0.03  -0.03    -0.01   0.00   0.03
     4   7    -0.01  -0.00   0.02     0.00   0.03  -0.03    -0.01   0.00  -0.03
     5   7    -0.01  -0.01  -0.10     0.01   0.04   0.20     0.00  -0.01   0.07
     6   6     0.00  -0.01  -0.06     0.01  -0.03  -0.12    -0.00   0.00   0.05
     7   1     0.00   0.02  -0.04     0.00   0.02  -0.08    -0.00  -0.01   0.05
     8   6     0.00   0.01  -0.03     0.00   0.03  -0.04    -0.00  -0.00   0.04
     9   1     0.00  -0.06   0.01     0.00  -0.12   0.04    -0.00   0.03   0.03
    10   6     0.00  -0.06   0.03     0.00  -0.11   0.05     0.00   0.03  -0.04
    11   1     0.02  -0.12  -0.16     0.02  -0.20  -0.25    -0.01   0.08   0.12
    12   6    -0.00   0.10  -0.05    -0.00   0.19  -0.12     0.00  -0.04  -0.00
    13   6    -0.00  -0.00   0.04    -0.01   0.01   0.06     0.00  -0.01  -0.01
    14   1    -0.00  -0.09  -0.06    -0.00   0.04   0.09    -0.01   0.04   0.05
    15   6     0.04   0.05   0.05    -0.04   0.03   0.04     0.05   0.06  -0.03
    16   1    -0.02  -0.35  -0.16    -0.08  -0.24  -0.31    -0.00  -0.41   0.23
    17   6     0.01  -0.02  -0.02     0.02  -0.01   0.01    -0.05  -0.01  -0.06
    18   1     0.03  -0.02   0.34    -0.03   0.01  -0.14     0.06  -0.06   0.42
    19   1     0.00  -0.01  -0.25     0.02  -0.02   0.08    -0.03   0.08   0.01
    20   6    -0.03   0.01   0.03     0.02   0.02  -0.00     0.01  -0.01   0.03
    21   1    -0.02   0.11   0.11     0.03   0.13   0.03    -0.00  -0.09  -0.08
    22   1    -0.03  -0.20  -0.09     0.00  -0.14  -0.09    -0.04   0.04   0.07
    23   6    -0.03   0.01  -0.03    -0.02  -0.02  -0.00     0.01  -0.01  -0.03
    24   1    -0.03  -0.20   0.09    -0.00   0.14  -0.09    -0.04   0.04  -0.07
    25   1    -0.02   0.11  -0.11    -0.03  -0.13   0.03    -0.00  -0.09   0.08
    26   6     0.01  -0.02   0.02    -0.02   0.01   0.01    -0.05  -0.01   0.06
    27   1     0.00  -0.01   0.25    -0.02   0.02   0.08    -0.03   0.08  -0.01
    28   1     0.03  -0.02  -0.34     0.03  -0.01  -0.14     0.06  -0.06  -0.42
    29   6     0.04   0.05  -0.05     0.04  -0.03   0.04     0.05   0.06   0.03
    30   1    -0.02  -0.35   0.16     0.08   0.24  -0.31    -0.00  -0.41  -0.23
    31   6    -0.00  -0.00  -0.04     0.01  -0.01   0.06     0.00  -0.01   0.01
    32   1    -0.00  -0.09   0.06     0.00  -0.04   0.09    -0.01   0.04  -0.05
    33   6    -0.00   0.10   0.05     0.00  -0.19  -0.12     0.00  -0.04   0.00
    34   6     0.00  -0.06  -0.03    -0.00   0.11   0.05     0.00   0.03   0.04
    35   1     0.02  -0.12   0.16    -0.02   0.20  -0.25    -0.01   0.08  -0.12
    36   6     0.00   0.01   0.03    -0.00  -0.03  -0.04    -0.00  -0.00  -0.04
    37   1     0.00  -0.06  -0.01    -0.00   0.12   0.04    -0.00   0.03  -0.03
    38   6     0.00  -0.01   0.06    -0.01   0.03  -0.12    -0.00   0.00  -0.05
    39   1     0.00   0.02   0.04    -0.00  -0.02  -0.08    -0.00  -0.01  -0.05
                     73                     74                     75
                      B                      A                      B
 Frequencies --   1336.0627              1344.5792              1358.8059
 Red. masses --      1.8797                 1.6247                 2.9826
 Frc consts  --      1.9770                 1.7306                 3.2446
 IR Inten    --      0.1302                23.1500                 2.2392
 RamAct Fr= 1--     27.4330               180.3199               101.6034
  Dep-P Fr= 1--      0.7500                 0.2236                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3655                 0.8571
 Alpha2 Fr= 1--      0.0000                 2.2985                 0.0000
 Beta2  Fr= 1--      3.9190                10.9837                14.5148
 AlphaG Fr= 1--     -0.0000                10.0594                -0.0000
 Gamma2 Fr= 1--     14.4144               -28.4859               145.2882
 Delta2 Fr= 1--      2.4880               -30.7450                53.7306
 Raman1 Fr= 1--     109.732                721.280                406.414
 ROA1   Fr= 1--    1463.399              -3718.491              15667.048
 CID1   Fr= 1--      13.336                 -5.155                 38.550
 Raman2 Fr= 1--      47.028                131.805                174.177
 ROA2   Fr= 1--     326.041               -437.703               3057.072
 CID2   Fr= 1--       6.933                 -3.321                 17.551
 Raman3 Fr= 1--      94.056                263.610                348.355
 ROA3   Fr= 1--    1463.399              -3718.491              15667.048
 CID3   Fr= 1--      15.559                -14.106                 44.974
 RC180  Fr= 1--       0.714                 -0.269                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   7    -0.00  -0.05   0.07     0.00  -0.05   0.03    -0.01   0.08   0.04
     3   7     0.02   0.01  -0.01     0.01   0.02   0.00     0.01  -0.06   0.00
     4   7     0.02   0.01   0.01    -0.01  -0.02   0.00     0.01  -0.06  -0.00
     5   7    -0.00  -0.05  -0.07    -0.00   0.05   0.03    -0.01   0.08  -0.04
     6   6     0.00   0.00  -0.04    -0.00   0.01  -0.01     0.00  -0.04  -0.05
     7   1     0.00  -0.03  -0.06     0.00  -0.05  -0.06    -0.01   0.09   0.07
     8   6    -0.00   0.00   0.02    -0.00  -0.00   0.04     0.01   0.02  -0.12
     9   1     0.00  -0.01   0.03    -0.00  -0.00   0.04     0.01  -0.04  -0.10
    10   6     0.00  -0.04  -0.03     0.00  -0.03  -0.06    -0.01   0.02   0.16
    11   1     0.00  -0.04  -0.01    -0.00   0.01   0.08     0.02  -0.11  -0.29
    12   6    -0.00   0.11  -0.07    -0.00   0.08  -0.05    -0.00  -0.09   0.06
    13   6    -0.00  -0.03   0.03    -0.00  -0.03   0.03     0.00   0.05  -0.08
    14   1     0.01   0.04   0.11     0.01  -0.01   0.05     0.01   0.11  -0.02
    15   6    -0.02  -0.03  -0.03     0.02   0.00  -0.04    -0.01   0.01   0.03
    16   1     0.02   0.20   0.40     0.05   0.05   0.48    -0.01   0.06   0.01
    17   6    -0.03   0.01  -0.05    -0.04   0.01  -0.05    -0.01   0.00  -0.10
    18   1    -0.01   0.00   0.06     0.02  -0.01   0.30    -0.02   0.01   0.26
    19   1    -0.02   0.07   0.34    -0.03   0.06   0.05     0.01   0.04   0.40
    20   6     0.03  -0.01   0.01    -0.02  -0.03   0.01     0.02  -0.01   0.02
    21   1     0.02  -0.16  -0.17    -0.03  -0.20  -0.07     0.01  -0.08  -0.13
    22   1    -0.01   0.19   0.15    -0.03   0.22   0.17    -0.01   0.12   0.11
    23   6     0.03  -0.01  -0.01     0.02   0.03   0.01     0.02  -0.01  -0.02
    24   1    -0.01   0.19  -0.15     0.03  -0.22   0.17    -0.01   0.12  -0.11
    25   1     0.02  -0.16   0.17     0.03   0.20  -0.07     0.01  -0.08   0.13
    26   6    -0.03   0.01   0.05     0.04  -0.01  -0.05    -0.01   0.00   0.10
    27   1    -0.02   0.07  -0.34     0.03  -0.06   0.05     0.01   0.04  -0.40
    28   1    -0.01   0.00  -0.06    -0.02   0.01   0.30    -0.02   0.01  -0.26
    29   6    -0.02  -0.03   0.03    -0.02  -0.00  -0.04    -0.01   0.01  -0.03
    30   1     0.02   0.20  -0.40    -0.05  -0.05   0.48    -0.01   0.06  -0.01
    31   6    -0.00  -0.03  -0.03     0.00   0.03   0.03     0.00   0.05   0.08
    32   1     0.01   0.04  -0.11    -0.01   0.01   0.05     0.01   0.11   0.02
    33   6    -0.00   0.11   0.07     0.00  -0.08  -0.05    -0.00  -0.09  -0.06
    34   6     0.00  -0.04   0.03    -0.00   0.03  -0.06    -0.01   0.02  -0.16
    35   1     0.00  -0.04   0.01     0.00  -0.01   0.08     0.02  -0.11   0.29
    36   6    -0.00   0.00  -0.02     0.00   0.00   0.04     0.01   0.02   0.12
    37   1     0.00  -0.01  -0.03     0.00   0.00   0.04     0.01  -0.04   0.10
    38   6     0.00   0.00   0.04     0.00  -0.01  -0.01     0.00  -0.04   0.05
    39   1     0.00  -0.03   0.06    -0.00   0.05  -0.06    -0.01   0.09  -0.07
                     76                     77                     78
                      A                      A                      B
 Frequencies --   1362.1861              1375.4313              1378.1486
 Red. masses --      2.0568                 1.4293                 1.4166
 Frc consts  --      2.2486                 1.5931                 1.5853
 IR Inten    --      6.6568                15.2305                 1.9715
 RamAct Fr= 1--    219.2443                15.9805                 0.5864
  Dep-P Fr= 1--      0.5936                 0.7211                 0.7500
  Dep-U Fr= 1--      0.7450                 0.8380                 0.8571
 Alpha2 Fr= 1--      0.6375                 0.0079                 0.0000
 Beta2  Fr= 1--     27.2225                 2.2319                 0.0838
 AlphaG Fr= 1--      2.2474                 0.2527                -0.0000
 Gamma2 Fr= 1--     -2.5166               -18.5945                -1.2284
 Delta2 Fr= 1--    -38.5377                 2.1777                -0.6566
 Raman1 Fr= 1--     876.977                 63.922                  2.345
 ROA1   Fr= 1--   -1474.797              -1715.383               -138.933
 CID1   Fr= 1--      -1.682                -26.836                -59.234
 Raman2 Fr= 1--     326.670                 26.783                  1.005
 ROA2   Fr= 1--     247.904               -463.690                -24.228
 CID2   Fr= 1--       0.759                -17.313                -24.102
 Raman3 Fr= 1--     653.340                 53.565                  2.010
 ROA3   Fr= 1--   -1474.797              -1715.383               -138.933
 CID3   Fr= 1--      -2.257                -32.024                -69.106
 RC180  Fr= 1--       0.490                  0.676                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   7    -0.00   0.05   0.05    -0.00   0.02   0.03    -0.00   0.00   0.01
     3   7     0.01  -0.03  -0.01     0.01  -0.02   0.01     0.00  -0.00  -0.00
     4   7    -0.01   0.03  -0.01    -0.01   0.02   0.01     0.00  -0.00   0.00
     5   7     0.00  -0.05   0.05     0.00  -0.02   0.03    -0.00   0.00  -0.01
     6   6     0.00  -0.03  -0.05     0.00  -0.01  -0.03     0.00   0.00  -0.01
     7   1    -0.01   0.06   0.03    -0.00   0.02   0.00     0.00  -0.00  -0.01
     8   6     0.00   0.01  -0.08     0.00   0.01  -0.04     0.00  -0.00  -0.01
     9   1     0.00  -0.02  -0.08     0.00  -0.01  -0.03     0.00   0.00  -0.01
    10   6    -0.01   0.01   0.12    -0.00   0.00   0.05    -0.00  -0.00   0.01
    11   1     0.02  -0.09  -0.23     0.01  -0.04  -0.10     0.00  -0.01  -0.03
    12   6    -0.00  -0.04   0.03    -0.00  -0.01   0.01    -0.00   0.00   0.00
    13   6     0.00   0.02  -0.06     0.00   0.01  -0.03     0.00   0.00  -0.01
    14   1     0.01   0.11   0.04     0.01   0.08   0.05     0.00   0.02   0.01
    15   6     0.01  -0.06   0.03     0.01   0.02  -0.05     0.01  -0.00  -0.01
    16   1     0.08   0.42   0.08     0.04   0.04   0.40     0.01  -0.04   0.10
    17   6    -0.01   0.02  -0.07    -0.00   0.01   0.06     0.00   0.03   0.02
    18   1    -0.00   0.02   0.11     0.05  -0.02   0.02    -0.03   0.04   0.10
    19   1    -0.00   0.00   0.27    -0.02  -0.04  -0.33    -0.01   0.00  -0.18
    20   6    -0.00   0.01   0.02     0.00  -0.06  -0.03    -0.02  -0.09  -0.09
    21   1    -0.02  -0.21  -0.12     0.03   0.37   0.20     0.01   0.31   0.24
    22   1    -0.01   0.14   0.11    -0.01  -0.03  -0.01     0.05   0.47   0.21
    23   6     0.00  -0.01   0.02    -0.00   0.06  -0.03    -0.02  -0.09   0.09
    24   1     0.01  -0.14   0.11     0.01   0.03  -0.01     0.05   0.47  -0.21
    25   1     0.02   0.21  -0.12    -0.03  -0.37   0.20     0.01   0.31  -0.24
    26   6     0.01  -0.02  -0.07     0.00  -0.01   0.06     0.00   0.03  -0.02
    27   1     0.00  -0.00   0.27     0.02   0.04  -0.33    -0.01   0.00   0.18
    28   1     0.00  -0.02   0.11    -0.05   0.02   0.02    -0.03   0.04  -0.10
    29   6    -0.01   0.06   0.03    -0.01  -0.02  -0.05     0.01  -0.00   0.01
    30   1    -0.08  -0.42   0.08    -0.04  -0.04   0.40     0.01  -0.04  -0.10
    31   6    -0.00  -0.02  -0.06    -0.00  -0.01  -0.03     0.00   0.00   0.01
    32   1    -0.01  -0.11   0.04    -0.01  -0.08   0.05     0.00   0.02  -0.01
    33   6     0.00   0.04   0.03     0.00   0.01   0.01    -0.00   0.00  -0.00
    34   6     0.01  -0.01   0.12     0.00  -0.00   0.05    -0.00  -0.00  -0.01
    35   1    -0.02   0.09  -0.23    -0.01   0.04  -0.10     0.00  -0.01   0.03
    36   6    -0.00  -0.01  -0.08    -0.00  -0.01  -0.04     0.00  -0.00   0.01
    37   1    -0.00   0.02  -0.08    -0.00   0.01  -0.03     0.00   0.00   0.01
    38   6    -0.00   0.03  -0.05    -0.00   0.01  -0.03     0.00   0.00   0.01
    39   1     0.01  -0.06   0.03     0.00  -0.02   0.00     0.00  -0.00   0.01
                     79                     80                     81
                      A                      A                      B
 Frequencies --   1385.5493              1392.5352              1395.9440
 Red. masses --      1.7653                 1.4643                 1.6757
 Frc consts  --      1.9968                 1.6730                 1.9239
 IR Inten    --     29.8732                25.7105                15.2586
 RamAct Fr= 1--     93.2152                57.3971                 4.7917
  Dep-P Fr= 1--      0.1609                 0.2224                 0.7500
  Dep-U Fr= 1--      0.2771                 0.3639                 0.8571
 Alpha2 Fr= 1--      1.4017                 0.7340                 0.0000
 Beta2  Fr= 1--      4.3054                 3.4812                 0.6845
 AlphaG Fr= 1--      2.4693                 4.3321                 0.0000
 Gamma2 Fr= 1--     22.2414                 3.7979                -8.4735
 Delta2 Fr= 1--    -11.5303                -9.3215                 4.8673
 Raman1 Fr= 1--     372.861                229.588                 19.167
 ROA1   Fr= 1--    1766.203                 66.315               -657.704
 CID1   Fr= 1--       4.737                  0.289                -34.315
 Raman2 Fr= 1--      51.665                 41.774                  8.214
 ROA2   Fr= 1--     626.036                165.722               -242.302
 CID2   Fr= 1--      12.117                  3.967                -29.497
 Raman3 Fr= 1--     103.329                 83.548                 16.429
 ROA3   Fr= 1--    1766.203                 66.315               -657.704
 CID3   Fr= 1--      17.093                  0.794                -40.034
 RC180  Fr= 1--      -0.446                 -0.272                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   7     0.00  -0.03   0.00     0.00   0.01  -0.01    -0.00   0.01   0.03
     3   7     0.00   0.03  -0.02    -0.01  -0.00   0.00     0.01  -0.02   0.02
     4   7    -0.00  -0.03  -0.02     0.01   0.00   0.00     0.01  -0.02  -0.02
     5   7    -0.00   0.03   0.00    -0.00  -0.01  -0.01    -0.00   0.01  -0.03
     6   6    -0.00   0.03   0.00     0.00  -0.01   0.01     0.00  -0.01  -0.03
     7   1     0.01  -0.04  -0.07    -0.00   0.02   0.04    -0.00   0.02   0.00
     8   6    -0.00  -0.03   0.03    -0.00   0.01  -0.01     0.00   0.01  -0.03
     9   1    -0.00   0.05  -0.01    -0.00  -0.03   0.02     0.00   0.00  -0.03
    10   6     0.00  -0.01  -0.05    -0.00   0.00   0.01    -0.00   0.01   0.05
    11   1    -0.00   0.02   0.06    -0.00   0.00   0.01     0.01  -0.04  -0.10
    12   6    -0.00   0.04   0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.00
    13   6    -0.00  -0.02   0.03     0.00   0.00  -0.00     0.00  -0.00  -0.04
    14   1     0.00  -0.07  -0.03    -0.01  -0.03  -0.04     0.01   0.13   0.11
    15   6     0.00  -0.13   0.03     0.01   0.04   0.04     0.01   0.03  -0.11
    16   1     0.08   0.52  -0.15    -0.03  -0.18  -0.25     0.02  -0.07   0.50
    17   6     0.02   0.04   0.00     0.01   0.02  -0.07    -0.02  -0.01   0.08
    18   1     0.01   0.04  -0.14    -0.03   0.05   0.41     0.05  -0.05  -0.18
    19   1     0.00  -0.14   0.00     0.01  -0.02   0.14    -0.02  -0.00  -0.30
    20   6     0.01  -0.05  -0.01    -0.00  -0.10  -0.01    -0.00   0.03  -0.00
    21   1     0.03   0.31   0.10     0.01   0.32   0.16    -0.00  -0.07   0.05
    22   1     0.03   0.04   0.03    -0.02   0.19   0.17    -0.06  -0.17  -0.09
    23   6    -0.01   0.05  -0.01     0.00   0.10  -0.01    -0.00   0.03   0.00
    24   1    -0.03  -0.04   0.03     0.02  -0.19   0.17    -0.06  -0.17   0.09
    25   1    -0.03  -0.31   0.10    -0.01  -0.32   0.16    -0.00  -0.07  -0.05
    26   6    -0.02  -0.04   0.00    -0.01  -0.02  -0.07    -0.02  -0.01  -0.08
    27   1    -0.00   0.14   0.00    -0.01   0.02   0.14    -0.02  -0.00   0.30
    28   1    -0.01  -0.04  -0.14     0.03  -0.05   0.41     0.05  -0.05   0.18
    29   6    -0.00   0.13   0.03    -0.01  -0.04   0.04     0.01   0.03   0.11
    30   1    -0.08  -0.52  -0.15     0.03   0.18  -0.25     0.02  -0.07  -0.50
    31   6     0.00   0.02   0.03    -0.00  -0.00  -0.00     0.00  -0.00   0.04
    32   1    -0.00   0.07  -0.03     0.01   0.03  -0.04     0.01   0.13  -0.11
    33   6     0.00  -0.04   0.00    -0.00   0.02  -0.00    -0.00  -0.01  -0.00
    34   6    -0.00   0.01  -0.05     0.00  -0.00   0.01    -0.00   0.01  -0.05
    35   1     0.00  -0.02   0.06     0.00  -0.00   0.01     0.01  -0.04   0.10
    36   6     0.00   0.03   0.03     0.00  -0.01  -0.01     0.00   0.01   0.03
    37   1     0.00  -0.05  -0.01     0.00   0.03   0.02     0.00   0.00   0.03
    38   6     0.00  -0.03   0.00    -0.00   0.01   0.01     0.00  -0.01   0.03
    39   1    -0.01   0.04  -0.07     0.00  -0.02   0.04    -0.00   0.02  -0.00
                     82                     83                     84
                      B                      A                      A
 Frequencies --   1420.9502              1425.6335              1490.8993
 Red. masses --      2.8194                 2.7698                 1.0922
 Frc consts  --      3.3540                 3.3168                 1.4303
 IR Inten    --      0.3991                62.8892                 1.9131
 RamAct Fr= 1--     19.4085               254.4842                15.3032
  Dep-P Fr= 1--      0.7500                 0.6345                 0.5008
  Dep-U Fr= 1--      0.8571                 0.7764                 0.6674
 Alpha2 Fr= 1--      0.0000                 0.5330                 0.0753
 Beta2  Fr= 1--      2.7726                32.9283                 1.7021
 AlphaG Fr= 1--      0.0000                -0.0219                -0.1329
 Gamma2 Fr= 1--     63.7208               -21.9988                -4.5019
 Delta2 Fr= 1--     21.4965               -10.7467                -2.5380
 Raman1 Fr= 1--      77.634               1017.937                 61.213
 ROA1   Fr= 1--    6805.083              -2455.776               -513.398
 CID1   Fr= 1--      87.656                 -2.413                 -8.387
 Raman2 Fr= 1--      33.272                395.140                 20.425
 ROA2   Fr= 1--    1357.327               -441.997                -87.741
 CID2   Fr= 1--      40.795                 -1.119                 -4.296
 Raman3 Fr= 1--      66.543                790.280                 40.851
 ROA3   Fr= 1--    6805.083              -2455.776               -513.398
 CID3   Fr= 1--     102.265                 -3.107                -12.568
 RC180  Fr= 1--       0.714                  0.553                  0.335
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   7     0.00   0.04  -0.05     0.00   0.04  -0.05    -0.00   0.00   0.00
     3   7     0.01   0.04  -0.01     0.01   0.04  -0.01    -0.00   0.00   0.00
     4   7     0.01   0.04   0.01    -0.01  -0.04  -0.01     0.00  -0.00   0.00
     5   7     0.00   0.04   0.05    -0.00  -0.04  -0.05     0.00  -0.00   0.00
     6   6     0.00  -0.14   0.04     0.00  -0.15   0.04     0.00  -0.00  -0.00
     7   1    -0.02   0.09   0.30    -0.02   0.11   0.30    -0.00   0.01   0.00
     8   6    -0.01   0.19  -0.05    -0.01   0.19  -0.04    -0.00  -0.00   0.00
     9   1    -0.00  -0.37   0.30    -0.00  -0.35   0.29    -0.00   0.01  -0.00
    10   6     0.00  -0.07   0.01     0.00  -0.07   0.00    -0.00   0.00   0.00
    11   1    -0.01  -0.03   0.18    -0.01  -0.02   0.18     0.00   0.00  -0.00
    12   6     0.00  -0.01  -0.06     0.00  -0.01  -0.05     0.00  -0.00  -0.00
    13   6    -0.01  -0.00   0.06    -0.01  -0.01   0.06     0.00  -0.00  -0.00
    14   1     0.02  -0.18  -0.14     0.02  -0.18  -0.13     0.00   0.00   0.00
    15   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.01    -0.00   0.02  -0.00
    16   1     0.01   0.04   0.08     0.02   0.12   0.07    -0.01  -0.06   0.01
    17   6    -0.00   0.01   0.01    -0.00   0.01   0.01    -0.02   0.03  -0.00
    18   1    -0.00   0.01  -0.02     0.02  -0.00  -0.07     0.31  -0.14   0.01
    19   1    -0.00  -0.00  -0.02    -0.01  -0.04  -0.03    -0.06  -0.32   0.02
    20   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.01   0.04
    21   1     0.00   0.00   0.01     0.00   0.00  -0.01    -0.04   0.14  -0.34
    22   1    -0.00   0.02   0.01     0.01  -0.00  -0.01     0.35   0.05  -0.10
    23   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01   0.04
    24   1    -0.00   0.02  -0.01    -0.01   0.00  -0.01    -0.35  -0.05  -0.10
    25   1     0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.04  -0.14  -0.34
    26   6    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.02  -0.03  -0.00
    27   1    -0.00  -0.00   0.02     0.01   0.04  -0.03     0.06   0.32   0.02
    28   1    -0.00   0.01   0.02    -0.02   0.00  -0.07    -0.31   0.14   0.01
    29   6    -0.00  -0.02   0.01     0.00   0.04  -0.01     0.00  -0.02  -0.00
    30   1     0.01   0.04  -0.08    -0.02  -0.12   0.07     0.01   0.06   0.01
    31   6    -0.01  -0.00  -0.06     0.01   0.01   0.06    -0.00   0.00  -0.00
    32   1     0.02  -0.18   0.14    -0.02   0.18  -0.13    -0.00  -0.00   0.00
    33   6     0.00  -0.01   0.06    -0.00   0.01  -0.05    -0.00   0.00  -0.00
    34   6     0.00  -0.07  -0.01    -0.00   0.07   0.00     0.00  -0.00   0.00
    35   1    -0.01  -0.03  -0.18     0.01   0.02   0.18    -0.00  -0.00  -0.00
    36   6    -0.01   0.19   0.05     0.01  -0.19  -0.04     0.00   0.00   0.00
    37   1    -0.00  -0.37  -0.30     0.00   0.35   0.29     0.00  -0.01  -0.00
    38   6     0.00  -0.14  -0.04    -0.00   0.15   0.04    -0.00   0.00  -0.00
    39   1    -0.02   0.09  -0.30     0.02  -0.11   0.30     0.00  -0.01   0.00
                     85                     86                     87
                      B                      B                      B
 Frequencies --   1491.7337              1496.8531              1497.6751
 Red. masses --      1.0900                 1.9319                 1.4913
 Frc consts  --      1.4291                 2.5503                 1.9708
 IR Inten    --      4.5796                48.3260                12.6973
 RamAct Fr= 1--     16.6376                 0.2717                 1.1733
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      2.3768                 0.0388                 0.1676
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -4.6277                -3.0496                 9.6820
 Delta2 Fr= 1--     -0.3730                 0.2063                -0.9743
 Raman1 Fr= 1--      66.551                  1.087                  4.693
 ROA1   Fr= 1--    -456.192               -286.164                898.292
 CID1   Fr= 1--      -6.855               -263.285                191.408
 Raman2 Fr= 1--      28.522                  0.466                  2.011
 ROA2   Fr= 1--    -108.080                -74.842                240.161
 CID2   Fr= 1--      -3.789               -160.669                119.405
 Raman3 Fr= 1--      57.043                  0.932                  4.023
 ROA3   Fr= 1--    -456.192               -286.164                898.292
 CID3   Fr= 1--      -7.997               -307.166                223.309
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   7    -0.00   0.00   0.00     0.01  -0.05  -0.06    -0.00   0.04   0.04
     3   7     0.00   0.00   0.00     0.00  -0.04  -0.02    -0.00   0.02   0.01
     4   7     0.00   0.00  -0.00     0.00  -0.04   0.02    -0.00   0.02  -0.01
     5   7    -0.00   0.00  -0.00     0.01  -0.05   0.06    -0.00   0.04  -0.04
     6   6     0.00  -0.00  -0.00    -0.01   0.07   0.10     0.01  -0.05  -0.07
     7   1    -0.00   0.01   0.01     0.02  -0.22  -0.17    -0.01   0.16   0.12
     8   6    -0.00   0.00   0.00     0.00   0.02  -0.08    -0.00  -0.01   0.05
     9   1    -0.00   0.00  -0.00     0.01  -0.17   0.02    -0.00   0.12  -0.02
    10   6    -0.00   0.00   0.00    -0.00  -0.04   0.04     0.00   0.03  -0.03
    11   1     0.00   0.00  -0.00     0.01  -0.08  -0.05    -0.01   0.05   0.04
    12   6     0.00  -0.00  -0.00    -0.00   0.06   0.03     0.00  -0.04  -0.02
    13   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    14   1    -0.00   0.00   0.00    -0.01   0.07   0.05    -0.00  -0.04  -0.04
    15   6     0.00   0.00  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.01
    16   1    -0.00  -0.01   0.04     0.00  -0.01   0.02     0.01  -0.01  -0.01
    17   6     0.00  -0.01   0.01     0.02  -0.05   0.00     0.03  -0.05   0.00
    18   1    -0.07   0.02  -0.00    -0.37   0.15   0.01    -0.41   0.17   0.00
    19   1     0.01   0.08  -0.05     0.07   0.41  -0.02     0.08   0.45  -0.02
    20   6    -0.03  -0.02   0.04     0.00   0.00  -0.00     0.01   0.00  -0.00
    21   1    -0.05   0.26  -0.41     0.01  -0.03   0.05     0.01  -0.04   0.08
    22   1     0.47   0.04  -0.15    -0.05  -0.03   0.01    -0.08  -0.02   0.02
    23   6    -0.03  -0.02  -0.04     0.00   0.00   0.00     0.01   0.00   0.00
    24   1     0.47   0.04   0.15    -0.05  -0.03  -0.01    -0.08  -0.02  -0.02
    25   1    -0.05   0.26   0.41     0.01  -0.03  -0.05     0.01  -0.04  -0.08
    26   6     0.00  -0.01  -0.01     0.02  -0.05  -0.00     0.03  -0.05  -0.00
    27   1     0.01   0.08   0.05     0.07   0.41   0.02     0.08   0.45   0.02
    28   1    -0.07   0.02   0.00    -0.37   0.15  -0.01    -0.41   0.17  -0.00
    29   6     0.00   0.00   0.01     0.00   0.01   0.00     0.00  -0.01   0.01
    30   1    -0.00  -0.01  -0.04     0.00  -0.01  -0.02     0.01  -0.01   0.01
    31   6     0.00  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    32   1    -0.00   0.00  -0.00    -0.01   0.07  -0.05    -0.00  -0.04   0.04
    33   6     0.00  -0.00   0.00    -0.00   0.06  -0.03     0.00  -0.04   0.02
    34   6    -0.00   0.00  -0.00    -0.00  -0.04  -0.04     0.00   0.03   0.03
    35   1     0.00   0.00   0.00     0.01  -0.08   0.05    -0.01   0.05  -0.04
    36   6    -0.00   0.00  -0.00     0.00   0.02   0.08    -0.00  -0.01  -0.05
    37   1    -0.00   0.00   0.00     0.01  -0.17  -0.02    -0.00   0.12   0.02
    38   6     0.00  -0.00   0.00    -0.01   0.07  -0.10     0.01  -0.05   0.07
    39   1    -0.00   0.01  -0.01     0.02  -0.22   0.17    -0.01   0.16  -0.12
                     88                     89                     90
                      A                      A                      B
 Frequencies --   1501.7719              1507.0112              1562.8546
 Red. masses --      3.3694                 1.1184                 6.7983
 Frc consts  --      4.4773                 1.4965                 9.7833
 IR Inten    --      1.8163                 4.6227                 0.1602
 RamAct Fr= 1--      7.5805                 2.9602                 7.0383
  Dep-P Fr= 1--      0.5822                 0.4577                 0.7500
  Dep-U Fr= 1--      0.7359                 0.6280                 0.8571
 Alpha2 Fr= 1--      0.0238                 0.0176                 0.0000
 Beta2  Fr= 1--      0.9298                 0.3098                 1.0055
 AlphaG Fr= 1--     -0.0955                 0.1307                -0.0000
 Gamma2 Fr= 1--     -3.5015                 0.9610                22.5006
 Delta2 Fr= 1--      0.4696                 0.3870                 4.1503
 Raman1 Fr= 1--      30.322                 11.841                 28.153
 ROA1   Fr= 1--    -321.120                104.640               2292.863
 CID1   Fr= 1--     -10.590                  8.837                 81.442
 Raman2 Fr= 1--      11.158                  3.718                 12.066
 ROA2   Fr= 1--     -87.794                 19.968                506.811
 CID2   Fr= 1--      -7.869                  5.371                 42.004
 Raman3 Fr= 1--      22.315                  7.436                 24.131
 ROA3   Fr= 1--    -321.120                104.640               2292.863
 CID3   Fr= 1--     -14.390                 14.073                 95.016
 RC180  Fr= 1--       0.472                  0.256                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   7     0.01  -0.08  -0.11    -0.00   0.01   0.01    -0.00   0.02   0.02
     3   7     0.00  -0.05  -0.02     0.00   0.00   0.00     0.02  -0.20  -0.08
     4   7    -0.00   0.05  -0.02    -0.00  -0.00   0.00     0.02  -0.20   0.08
     5   7    -0.01   0.08  -0.11     0.00  -0.01   0.01    -0.00   0.02  -0.02
     6   6    -0.01   0.10   0.17     0.00  -0.01  -0.02     0.01  -0.07  -0.09
     7   1     0.04  -0.38  -0.28    -0.00   0.04   0.03    -0.01   0.13   0.10
     8   6     0.01   0.04  -0.13    -0.00  -0.00   0.01    -0.01   0.06   0.05
     9   1     0.01  -0.29   0.05    -0.00   0.02  -0.00    -0.00  -0.03   0.11
    10   6    -0.00  -0.06   0.07     0.00   0.00  -0.01     0.02  -0.11  -0.19
    11   1     0.01  -0.13  -0.08    -0.00   0.01   0.01    -0.02   0.02   0.39
    12   6    -0.01   0.11   0.04     0.00  -0.01  -0.00    -0.02   0.12   0.30
    13   6     0.00   0.01  -0.01     0.00   0.00   0.00     0.00   0.15  -0.07
    14   1    -0.01   0.11   0.10     0.00  -0.01  -0.01     0.01   0.17  -0.10
    15   6    -0.00   0.01   0.01     0.00  -0.01  -0.01    -0.01   0.04   0.01
    16   1     0.00   0.01   0.01     0.01   0.03   0.03    -0.00  -0.00   0.12
    17   6     0.00  -0.01  -0.00     0.02  -0.04   0.00    -0.00  -0.01   0.00
    18   1    -0.07   0.03   0.01    -0.34   0.14   0.01     0.02  -0.01   0.02
    19   1     0.01   0.08  -0.00     0.06   0.36  -0.02    -0.00  -0.01  -0.01
    20   6    -0.01  -0.01   0.01    -0.02  -0.02   0.03    -0.00   0.00  -0.00
    21   1    -0.01   0.06  -0.10    -0.03   0.18  -0.28    -0.00   0.01  -0.01
    22   1     0.11   0.01  -0.03     0.32   0.03  -0.08     0.01  -0.01  -0.01
    23   6     0.01   0.01   0.01     0.02   0.02   0.03    -0.00   0.00   0.00
    24   1    -0.11  -0.01  -0.03    -0.32  -0.03  -0.08     0.01  -0.01   0.01
    25   1     0.01  -0.06  -0.10     0.03  -0.18  -0.28    -0.00   0.01   0.01
    26   6    -0.00   0.01  -0.00    -0.02   0.04   0.00    -0.00  -0.01  -0.00
    27   1    -0.01  -0.08  -0.00    -0.06  -0.36  -0.02    -0.00  -0.01   0.01
    28   1     0.07  -0.03   0.01     0.34  -0.14   0.01     0.02  -0.01  -0.02
    29   6     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
    30   1    -0.00  -0.01   0.01    -0.01  -0.03   0.03    -0.00  -0.00  -0.12
    31   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.15   0.07
    32   1     0.01  -0.11   0.10    -0.00   0.01  -0.01     0.01   0.17   0.10
    33   6     0.01  -0.11   0.04    -0.00   0.01  -0.00    -0.02   0.12  -0.30
    34   6     0.00   0.06   0.07    -0.00  -0.00  -0.01     0.02  -0.11   0.19
    35   1    -0.01   0.13  -0.08     0.00  -0.01   0.01    -0.02   0.02  -0.39
    36   6    -0.01  -0.04  -0.13     0.00   0.00   0.01    -0.01   0.06  -0.05
    37   1    -0.01   0.29   0.05     0.00  -0.02  -0.00    -0.00  -0.03  -0.11
    38   6     0.01  -0.10   0.17    -0.00   0.01  -0.02     0.01  -0.07   0.09
    39   1    -0.04   0.38  -0.28     0.00  -0.04   0.03    -0.01   0.13  -0.10
                     91                     92                     93
                      A                      B                      A
 Frequencies --   1568.5481              1622.4296              1632.8679
 Red. masses --      6.9087                 5.8085                 6.2198
 Frc consts  --     10.0148                 9.0084                 9.7707
 IR Inten    --      4.2787               295.3518               648.8920
 RamAct Fr= 1--     48.0354              1349.7833              2147.5967
  Dep-P Fr= 1--      0.1990                 0.7500                 0.1323
  Dep-U Fr= 1--      0.3320                 0.8571                 0.2337
 Alpha2 Fr= 1--      0.6540                 0.0000                34.7103
 Beta2  Fr= 1--      2.6580               192.8262                83.6619
 AlphaG Fr= 1--      2.6144                 0.0000                63.9900
 Gamma2 Fr= 1--     -1.7334               574.2097               -19.0537
 Delta2 Fr= 1--     -9.1445               134.7164              -122.1802
 Raman1 Fr= 1--     192.142               5399.133               8590.387
 ROA1   Fr= 1--    -459.034              59435.055              -5738.920
 CID1   Fr= 1--      -2.389                 11.008                 -0.668
 Raman2 Fr= 1--      31.896               2313.914               1003.943
 ROA2   Fr= 1--      31.553              12703.301                520.153
 CID2   Fr= 1--       0.989                  5.490                  0.518
 Raman3 Fr= 1--      63.791               4627.829               2007.886
 ROA3   Fr= 1--    -459.034              59435.055              -5738.920
 CID3   Fr= 1--      -7.196                 12.843                 -2.858
 RC180  Fr= 1--      -0.336                  0.714                 -0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7    -0.00   0.02   0.01     0.00   0.01  -0.00     0.00   0.00  -0.02
     3   7     0.01  -0.21  -0.09     0.03  -0.19  -0.10     0.03  -0.20  -0.11
     4   7    -0.01   0.21  -0.09     0.03  -0.19   0.10    -0.03   0.20  -0.11
     5   7     0.00  -0.02   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.02
     6   6     0.01  -0.07  -0.09    -0.00   0.04   0.04    -0.00   0.04   0.05
     7   1    -0.01   0.14   0.11     0.00  -0.00  -0.00     0.00  -0.03  -0.01
     8   6    -0.01   0.06   0.05     0.00  -0.07   0.03     0.00  -0.06   0.03
     9   1    -0.00  -0.02   0.11    -0.00   0.07  -0.05     0.00   0.04  -0.04
    10   6     0.02  -0.11  -0.19    -0.00   0.06   0.01    -0.00   0.06   0.02
    11   1    -0.02   0.02   0.38     0.00   0.05  -0.09     0.00   0.04  -0.09
    12   6    -0.02   0.12   0.31     0.01  -0.10  -0.17     0.01  -0.09  -0.17
    13   6     0.00   0.15  -0.07    -0.02   0.26   0.21    -0.02   0.27   0.22
    14   1     0.01   0.18  -0.09     0.06  -0.26  -0.37     0.06  -0.26  -0.37
    15   6    -0.00   0.04   0.05    -0.02   0.02  -0.01    -0.01   0.00   0.02
    16   1     0.01   0.03   0.07     0.02   0.06   0.25     0.03   0.11   0.19
    17   6    -0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    18   1     0.03  -0.02   0.05     0.00  -0.00  -0.00    -0.00   0.00   0.03
    19   1    -0.01  -0.02   0.00    -0.00   0.00  -0.02    -0.00   0.01  -0.01
    20   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.00
    22   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    23   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.01   0.00
    25   1     0.00   0.00   0.01    -0.00   0.01   0.01     0.00  -0.01  -0.00
    26   6     0.00   0.00  -0.01    -0.00   0.00  -0.01     0.00   0.00  -0.00
    27   1     0.01   0.02   0.00    -0.00   0.00   0.02     0.00  -0.01  -0.01
    28   1    -0.03   0.02   0.05     0.00  -0.00   0.00     0.00  -0.00   0.03
    29   6     0.00  -0.04   0.05    -0.02   0.02   0.01     0.01  -0.00   0.02
    30   1    -0.01  -0.03   0.07     0.02   0.06  -0.25    -0.03  -0.11   0.19
    31   6    -0.00  -0.15  -0.07    -0.02   0.26  -0.21     0.02  -0.27   0.22
    32   1    -0.01  -0.18  -0.09     0.06  -0.26   0.37    -0.06   0.26  -0.37
    33   6     0.02  -0.12   0.31     0.01  -0.10   0.17    -0.01   0.09  -0.17
    34   6    -0.02   0.11  -0.19    -0.00   0.06  -0.01     0.00  -0.06   0.02
    35   1     0.02  -0.02   0.38     0.00   0.05   0.09    -0.00  -0.04  -0.09
    36   6     0.01  -0.06   0.05     0.00  -0.07  -0.03    -0.00   0.06   0.03
    37   1     0.00   0.02   0.11    -0.00   0.07   0.05    -0.00  -0.04  -0.04
    38   6    -0.01   0.07  -0.09    -0.00   0.04  -0.04     0.00  -0.04   0.05
    39   1     0.01  -0.14   0.11     0.00  -0.00   0.00    -0.00   0.03  -0.01
                     94                     95                     96
                      A                      B                      A
 Frequencies --   2956.7572              2971.1763              3015.1528
 Red. masses --      1.0786                 1.0841                 1.0717
 Frc consts  --      5.5559                 5.6385                 5.7404
 IR Inten    --     21.6305                29.6005                16.3199
 RamAct Fr= 1--    431.4467               182.0508               304.3551
  Dep-P Fr= 1--      0.1101                 0.7500                 0.0775
  Dep-U Fr= 1--      0.1983                 0.8571                 0.1439
 Alpha2 Fr= 1--      7.3693                 0.0000                 5.6277
 Beta2  Fr= 1--     14.2612                26.0073                 7.3012
 AlphaG Fr= 1--     24.3116                -0.0000                 0.4538
 Gamma2 Fr= 1--     30.0427               210.7377                 1.6577
 Delta2 Fr= 1--    -43.4318                99.5583                 5.2288
 Raman1 Fr= 1--    1725.787                728.203               1217.420
 ROA1   Fr= 1--    1494.287              23416.683                326.461
 CID1   Fr= 1--       0.866                 32.157                  0.268
 Raman2 Fr= 1--     171.134                312.087                 87.614
 ROA2   Fr= 1--    1068.480               4261.238                 -2.046
 CID2   Fr= 1--       6.244                 13.654                 -0.023
 Raman3 Fr= 1--     342.269                624.174                175.228
 ROA3   Fr= 1--    1494.287              23416.683                326.461
 CID3   Fr= 1--       4.366                 37.516                  1.863
 RC180  Fr= 1--      -0.603                  0.714                 -0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   6    -0.06   0.01   0.00    -0.06   0.01   0.00    -0.00   0.00  -0.00
    16   1     0.70  -0.09  -0.03     0.69  -0.09  -0.03     0.02  -0.00  -0.00
    17   6     0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    18   1    -0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.01  -0.02   0.00
    19   1    -0.03   0.01   0.00    -0.12   0.01   0.01    -0.16   0.02   0.01
    20   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.00   0.01
    21   1    -0.03  -0.00   0.00    -0.02  -0.00  -0.00     0.67  -0.02  -0.04
    22   1     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.06   0.07  -0.11
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.05   0.00   0.01
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.01     0.06  -0.07  -0.11
    25   1     0.03   0.00   0.00    -0.02  -0.00   0.00    -0.67   0.02  -0.04
    26   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    27   1     0.03  -0.01   0.00    -0.12   0.01  -0.01     0.16  -0.02   0.01
    28   1     0.01   0.02  -0.00     0.00  -0.01   0.00     0.01   0.02   0.00
    29   6     0.06  -0.01   0.00    -0.06   0.01  -0.00     0.00  -0.00  -0.00
    30   1    -0.70   0.09  -0.03     0.69  -0.09   0.03    -0.02   0.00  -0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    34   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    38   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                     97                     98                     99
                      B                      A                      B
 Frequencies --   3021.3033              3026.4220              3027.7409
 Red. masses --      1.0658                 1.0612                 1.0600
 Frc consts  --      5.7321                 5.7265                 5.7253
 IR Inten    --     18.6678                 3.3636                46.5324
 RamAct Fr= 1--     30.2182                81.4465                 7.7446
  Dep-P Fr= 1--      0.7500                 0.1461                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2550                 0.8571
 Alpha2 Fr= 1--      0.0000                 1.2715                 0.0000
 Beta2  Fr= 1--      4.3169                 3.4616                 1.1064
 AlphaG Fr= 1--     -0.0000                -1.2470                -0.0000
 Gamma2 Fr= 1--      2.7978                -8.2701                11.3863
 Delta2 Fr= 1--     14.7731               -14.1972                -6.5525
 Raman1 Fr= 1--     120.873                325.786                 30.979
 ROA1   Fr= 1--     741.323              -1248.243                883.407
 CID1   Fr= 1--       6.133                 -3.831                 28.517
 Raman2 Fr= 1--      51.803                 41.539                 13.277
 ROA2   Fr= 1--     -51.038                -84.905                325.692
 CID2   Fr= 1--      -0.985                 -2.044                 24.531
 Raman3 Fr= 1--     103.605                 83.078                 26.553
 ROA3   Fr= 1--     741.323              -1248.243                883.407
 CID3   Fr= 1--       7.155                -15.025                 33.269
 RC180  Fr= 1--       0.714                 -0.490                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.01
    15   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    16   1    -0.04   0.00   0.00     0.02  -0.01  -0.00     0.09  -0.01  -0.00
    17   6     0.03  -0.01  -0.00    -0.04   0.03   0.00    -0.03   0.03   0.00
    18   1     0.05   0.08   0.00    -0.16  -0.31   0.00    -0.16  -0.31   0.00
    19   1    -0.36   0.05   0.01     0.59  -0.07  -0.02     0.47  -0.06  -0.01
    20   6    -0.04  -0.01   0.02    -0.01  -0.00   0.01    -0.01  -0.01   0.02
    21   1     0.54  -0.02  -0.03     0.11  -0.01  -0.01     0.26  -0.01  -0.01
    22   1    -0.10   0.12  -0.20    -0.05   0.06  -0.10    -0.10   0.13  -0.22
    23   6    -0.04  -0.01  -0.02     0.01   0.00   0.01    -0.01  -0.01  -0.02
    24   1    -0.10   0.12   0.20     0.05  -0.06  -0.10    -0.10   0.13   0.22
    25   1     0.54  -0.02   0.03    -0.11   0.01  -0.01     0.26  -0.01   0.01
    26   6     0.03  -0.01   0.00     0.04  -0.03   0.00    -0.03   0.03  -0.00
    27   1    -0.36   0.05  -0.01    -0.59   0.07  -0.02     0.47  -0.06   0.01
    28   1     0.05   0.08  -0.00     0.16   0.31   0.00    -0.16  -0.31  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    30   1    -0.04   0.00  -0.00    -0.02   0.01  -0.00     0.09  -0.01   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00   0.01   0.01
    33   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
                    100                    101                    102
                      B                      A                      A
 Frequencies --   3067.5665              3068.6017              3070.6165
 Red. masses --      1.0966                 1.0907                 1.1018
 Frc consts  --      6.0799                 6.0512                 6.1207
 IR Inten    --     40.4624                65.1046                 0.0022
 RamAct Fr= 1--     72.7894               445.1870                99.5217
  Dep-P Fr= 1--      0.7500                 0.1932                 0.4695
  Dep-U Fr= 1--      0.8571                 0.3238                 0.6390
 Alpha2 Fr= 1--      0.0000                 6.1553                 0.5630
 Beta2  Fr= 1--     10.3985                24.0286                10.5983
 AlphaG Fr= 1--     -0.0000                 0.5282                -2.4203
 Gamma2 Fr= 1--    -72.6315                63.9213               -19.4247
 Delta2 Fr= 1--    -64.3887                35.9873                 2.8272
 Raman1 Fr= 1--     291.158               1780.748                398.087
 ROA1   Fr= 1--   -9033.062               7288.035              -1774.300
 CID1   Fr= 1--     -31.025                  4.093                 -4.457
 Raman2 Fr= 1--     124.782                288.343                127.180
 ROA2   Fr= 1--   -1228.046               1246.213               -488.810
 CID2   Fr= 1--      -9.842                  4.322                 -3.843
 Raman3 Fr= 1--     249.564                576.686                254.360
 ROA3   Fr= 1--   -9033.062               7288.035              -1774.300
 CID3   Fr= 1--     -36.195                 12.638                 -6.976
 RC180  Fr= 1--       0.714                 -0.352                  0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   7     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00  -0.02   0.02     0.00   0.01  -0.00    -0.00  -0.02   0.02
    15   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.03  -0.00  -0.00     0.00  -0.00   0.00     0.04  -0.01   0.00
    17   6    -0.03  -0.03   0.00     0.00   0.01   0.00    -0.05  -0.04   0.00
    18   1     0.20   0.43  -0.01    -0.06  -0.12   0.00     0.25   0.55  -0.01
    19   1     0.16  -0.03  -0.00     0.05  -0.00  -0.00     0.33  -0.05  -0.01
    20   6     0.03  -0.02   0.03    -0.03   0.03  -0.04    -0.01   0.00  -0.00
    21   1    -0.17  -0.00   0.02     0.13   0.00  -0.02     0.11  -0.00  -0.01
    22   1    -0.15   0.22  -0.37     0.23  -0.33   0.55     0.02  -0.04   0.06
    23   6     0.03  -0.02  -0.03     0.03  -0.03  -0.04     0.01  -0.00  -0.00
    24   1    -0.15   0.22   0.37    -0.23   0.33   0.55    -0.02   0.04   0.06
    25   1    -0.17  -0.00  -0.02    -0.13  -0.00  -0.02    -0.11   0.00  -0.01
    26   6    -0.03  -0.03  -0.00    -0.00  -0.01   0.00     0.05   0.04   0.00
    27   1     0.16  -0.03   0.00    -0.05   0.00  -0.00    -0.33   0.05  -0.01
    28   1     0.20   0.43   0.01     0.06   0.12   0.00    -0.25  -0.55  -0.01
    29   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   1     0.03  -0.00   0.00    -0.00   0.00   0.00    -0.04   0.01   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.02  -0.02    -0.00  -0.01  -0.00     0.00   0.02   0.02
    33   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    34   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    35   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    36   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    38   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
                    103                    104                    105
                      B                      B                      A
 Frequencies --   3075.1796              3142.8526              3143.0744
 Red. masses --      1.1046                 1.0911                 1.0910
 Frc consts  --      6.1546                 6.3497                 6.3499
 IR Inten    --     62.4545                20.8138                14.0954
 RamAct Fr= 1--     73.5119               253.0971                33.4665
  Dep-P Fr= 1--      0.7500                 0.7500                 0.1971
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3292
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.4580
 Beta2  Fr= 1--     10.5017                36.1567                 1.8364
 AlphaG Fr= 1--     -0.0000                 0.0000                -1.9880
 Gamma2 Fr= 1--     17.2174                -8.6594                53.2771
 Delta2 Fr= 1--     39.1249                -5.7041                -3.2183
 Raman1 Fr= 1--     294.048               1012.389                133.866
 ROA1   Fr= 1--    2904.866              -1013.834               5011.618
 CID1   Fr= 1--       9.879                 -1.001                 37.438
 Raman2 Fr= 1--     126.020                433.881                 22.037
 ROA2   Fr= 1--     100.219               -162.194               1304.397
 CID2   Fr= 1--       0.795                 -0.374                 59.191
 Raman3 Fr= 1--     252.041                867.762                 44.074
 ROA3   Fr= 1--    2904.866              -1013.834               5011.618
 CID3   Fr= 1--      11.525                 -1.168                113.710
 RC180  Fr= 1--       0.714                  0.714                 -0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   7     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.05   0.04    -0.00  -0.05   0.04
    14   1    -0.00  -0.01   0.01     0.04   0.53  -0.46     0.04   0.53  -0.46
    15   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.06  -0.01  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    17   6    -0.04  -0.02   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1     0.16   0.34  -0.00     0.01   0.03   0.00     0.01   0.03   0.00
    19   1     0.31  -0.05  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   6    -0.04   0.02  -0.02    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.32  -0.00  -0.03     0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1     0.13  -0.19   0.31    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.04   0.02   0.02    -0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.13  -0.19  -0.31    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.32  -0.00   0.03     0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   6    -0.04  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1     0.31  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.16   0.34   0.00     0.01   0.03  -0.00    -0.01  -0.03   0.00
    29   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.06  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    31   6     0.00   0.00   0.00    -0.00  -0.05  -0.04     0.00   0.05   0.04
    32   1    -0.00  -0.01  -0.01     0.04   0.53   0.46    -0.04  -0.53  -0.46
    33   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    35   1    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    36   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    38   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                    106                    107                    108
                      B                      A                      B
 Frequencies --   3224.8771              3226.3475              3232.9339
 Red. masses --      1.0889                 1.0887                 1.0942
 Frc consts  --      6.6719                 6.6768                 6.7382
 IR Inten    --      0.3921                 0.9671                11.3604
 RamAct Fr= 1--    140.0222               110.3304                 1.5928
  Dep-P Fr= 1--      0.7500                 0.7449                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8538                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0096                 0.0000
 Beta2  Fr= 1--     20.0032                15.7000                 0.2275
 AlphaG Fr= 1--      0.0000                 0.0029                -0.0000
 Gamma2 Fr= 1--     -7.0057                11.3204                23.5654
 Delta2 Fr= 1--     -5.4901                -5.9620                 1.2178
 Raman1 Fr= 1--     560.089                441.322                  6.371
 ROA1   Fr= 1--    -848.229                895.973               2301.250
 CID1   Fr= 1--      -1.514                  2.030                361.203
 Raman2 Fr= 1--     240.038                188.399                  2.730
 ROA2   Fr= 1--    -124.216                319.386                555.828
 CID2   Fr= 1--      -0.517                  1.695                203.565
 Raman3 Fr= 1--     480.076                376.799                  5.461
 ROA3   Fr= 1--    -848.229                895.973               2301.250
 CID3   Fr= 1--      -1.767                  2.378                421.403
 RC180  Fr= 1--       0.714                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.03     0.00   0.02  -0.02    -0.00  -0.03   0.03
     7   1     0.01   0.31  -0.33    -0.00  -0.23   0.24     0.01   0.31  -0.33
     8   6     0.00  -0.02  -0.03    -0.00   0.02   0.03    -0.00   0.01   0.00
     9   1    -0.03   0.22   0.37     0.03  -0.24  -0.39     0.00  -0.04  -0.05
    10   6    -0.00   0.03  -0.01     0.00  -0.04   0.01     0.00  -0.05   0.01
    11   1     0.01  -0.32   0.09    -0.01   0.41  -0.11    -0.02   0.52  -0.14
    12   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00   0.03   0.01    -0.00   0.04   0.01     0.00  -0.05  -0.01
    35   1     0.01  -0.32  -0.09     0.01  -0.41  -0.11    -0.02   0.52   0.14
    36   6     0.00  -0.02   0.03     0.00  -0.02   0.03    -0.00   0.01  -0.00
    37   1    -0.03   0.22  -0.37    -0.03   0.24  -0.39     0.00  -0.04   0.05
    38   6    -0.00  -0.03  -0.03    -0.00  -0.02  -0.02    -0.00  -0.03  -0.03
    39   1     0.01   0.31   0.33     0.00   0.23   0.24     0.01   0.31   0.33
                    109                    110                    111
                      A                      B                      A
 Frequencies --   3235.1839              3248.9025              3249.9243
 Red. masses --      1.0938                 1.1034                 1.1032
 Frc consts  --      6.7449                 6.8622                 6.8651
 IR Inten    --      3.0187                 8.1071                15.1987
 RamAct Fr= 1--    138.2497                62.1071               486.7401
  Dep-P Fr= 1--      0.6495                 0.7500                 0.1019
  Dep-U Fr= 1--      0.7875                 0.8571                 0.1850
 Alpha2 Fr= 1--      0.2497                 0.0000                 8.4816
 Beta2  Fr= 1--     18.1450                 8.8724                15.0096
 AlphaG Fr= 1--     -0.3658                 0.0000                 1.7134
 Gamma2 Fr= 1--     -1.5479                23.5166               -26.0615
 Delta2 Fr= 1--      0.7570                25.2562               -18.3588
 Raman1 Fr= 1--     552.999                248.429               1946.960
 ROA1   Fr= 1--    -124.371               3065.789              -3089.388
 CID1   Fr= 1--      -0.225                 12.341                 -1.587
 Raman2 Fr= 1--     217.740                106.469                180.116
 ROA2   Fr= 1--     -43.205                362.348               -478.607
 CID2   Fr= 1--      -0.198                  3.403                 -2.657
 Raman3 Fr= 1--     435.481                212.939                360.231
 ROA3   Fr= 1--    -124.371               3065.789              -3089.388
 CID3   Fr= 1--      -0.286                 14.398                 -8.576
 RC180  Fr= 1--       0.575                  0.714                 -0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   7     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.03     0.00   0.02  -0.02     0.00   0.02  -0.02
     7   1     0.01   0.35  -0.37    -0.00  -0.21   0.21    -0.00  -0.25   0.26
     8   6     0.00  -0.00  -0.01     0.00  -0.03  -0.04     0.00  -0.03  -0.04
     9   1    -0.01   0.04   0.07    -0.04   0.29   0.47    -0.04   0.27   0.45
    10   6     0.00  -0.04   0.01     0.00  -0.03   0.01     0.00  -0.03   0.01
    11   1    -0.01   0.47  -0.13    -0.01   0.31  -0.09    -0.01   0.28  -0.08
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    28   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    34   6    -0.00   0.04   0.01     0.00  -0.03  -0.01    -0.00   0.03   0.01
    35   1     0.01  -0.47  -0.13    -0.01   0.31   0.09     0.01  -0.28  -0.08
    36   6    -0.00   0.00  -0.01     0.00  -0.03   0.04    -0.00   0.03  -0.04
    37   1     0.01  -0.04   0.07    -0.04   0.29  -0.47     0.04  -0.27   0.45
    38   6     0.00   0.03   0.03     0.00   0.02   0.02    -0.00  -0.02  -0.02
    39   1    -0.01  -0.35  -0.37    -0.00  -0.21  -0.21     0.00   0.25   0.26

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number 28 and mass  57.93535
 Atom     2 has atomic number  7 and mass  14.00307
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  6 and mass  12.00000
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  6 and mass  12.00000
 Atom    34 has atomic number  6 and mass  12.00000
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  6 and mass  12.00000
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  6 and mass  12.00000
 Atom    39 has atomic number  1 and mass   1.00783
 Molecular mass:   324.08849 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4818.025056447.50548**********
           X            0.00000  -0.03992   0.99920
           Y            0.00000   0.99920   0.03992
           Z            1.00000   0.00000   0.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  2.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01798     0.01343     0.00777
 Rotational constants (GHZ):           0.37458     0.27991     0.16197
 Zero-point vibrational energy     839710.6 (Joules/Mol)
                                  200.69564 (Kcal/Mol)
 Warning -- explicit consideration of  27 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     70.44    80.29   101.27   140.62   179.83
          (Kelvin)            217.97   220.77   239.37   307.84   365.98
                              371.82   395.37   399.32   477.88   489.85
                              521.75   557.48   575.77   580.88   614.40
                              639.90   677.02   704.80   825.71   875.68
                              880.58   885.49   952.32   953.35  1002.63
                             1003.74  1062.03  1067.12  1128.36  1162.91
                             1181.85  1191.86  1197.71  1226.84  1236.35
                             1247.84  1269.83  1293.37  1326.67  1329.15
                             1356.82  1380.09  1382.33  1385.44  1449.15
                             1456.59  1527.90  1530.32  1531.17  1545.53
                             1551.71  1583.45  1590.10  1599.06  1605.08
                             1659.19  1689.54  1769.74  1771.69  1785.74
                             1826.50  1828.54  1857.83  1867.31  1885.30
                             1901.92  1907.32  1922.30  1934.55  1955.02
                             1959.88  1978.94  1982.85  1993.50  2003.55
                             2008.45  2044.43  2051.17  2145.07  2146.27
                             2153.64  2154.82  2160.71  2168.25  2248.60
                             2256.79  2334.31  2349.33  4254.11  4274.86
                             4338.13  4346.98  4354.35  4356.24  4413.54
                             4415.03  4417.93  4424.50  4521.86  4522.18
                             4639.88  4641.99  4651.47  4654.71  4674.45
                             4675.92
 
 Zero-point correction=                           0.319829 (Hartree/Particle)
 Thermal correction to Energy=                    0.336763
 Thermal correction to Enthalpy=                  0.337707
 Thermal correction to Gibbs Free Energy=         0.276126
 Sum of electronic and zero-point Energies=          -2348.073912
 Sum of electronic and thermal Energies=             -2348.056978
 Sum of electronic and thermal Enthalpies=           -2348.056034
 Sum of electronic and thermal Free Energies=        -2348.117615
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  211.322             69.676            129.608
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.223
 Rotational               0.889              2.981             32.826
 Vibrational            209.544             63.714             53.560
 Vibration     1          0.595              1.978              4.859
 Vibration     2          0.596              1.975              4.600
 Vibration     3          0.598              1.968              4.143
 Vibration     4          0.603              1.951              3.499
 Vibration     5          0.610              1.928              3.022
 Vibration     6          0.619              1.901              2.653
 Vibration     7          0.619              1.899              2.629
 Vibration     8          0.624              1.884              2.476
 Vibration     9          0.644              1.820              2.010
 Vibration    10          0.665              1.755              1.700
 Vibration    11          0.667              1.749              1.672
 Vibration    12          0.677              1.720              1.566
 Vibration    13          0.679              1.715              1.549
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.720              1.595              1.210
 Vibration    16          0.736              1.549              1.111
 Vibration    17          0.756              1.497              1.010
 Vibration    18          0.766              1.470              0.962
 Vibration    19          0.769              1.462              0.949
 Vibration    20          0.789              1.411              0.868
 Vibration    21          0.804              1.372              0.812
 Vibration    22          0.828              1.315              0.736
 Vibration    23          0.846              1.273              0.684
 Vibration    24          0.930              1.088              0.497
 Vibration    25          0.968              1.014              0.435
 Vibration    26          0.971              1.006              0.429
 Vibration    27          0.975              0.999              0.424
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.979586-127       -127.008958       -292.448932
 Total V=0       0.126467D+21         20.101978         46.286514
 Vib (Bot)       0.128281-141       -141.891838       -326.718032
 Vib (Bot)    1  0.422269D+01          0.625589          1.440473
 Vib (Bot)    2  0.370231D+01          0.568473          1.308958
 Vib (Bot)    3  0.293002D+01          0.466870          1.075008
 Vib (Bot)    4  0.210073D+01          0.322371          0.742287
 Vib (Bot)    5  0.163306D+01          0.213002          0.490454
 Vib (Bot)    6  0.133783D+01          0.126400          0.291046
 Vib (Bot)    7  0.132012D+01          0.120613          0.277723
 Vib (Bot)    8  0.121274D+01          0.083767          0.192881
 Vib (Bot)    9  0.926804D+00         -0.033012         -0.076014
 Vib (Bot)   10  0.765666D+00         -0.115961         -0.267009
 Vib (Bot)   11  0.752174D+00         -0.123682         -0.284788
 Vib (Bot)   12  0.701568D+00         -0.153931         -0.354438
 Vib (Bot)   13  0.693635D+00         -0.158869         -0.365810
 Vib (Bot)   14  0.561797D+00         -0.250421         -0.576615
 Vib (Bot)   15  0.545232D+00         -0.263418         -0.606543
 Vib (Bot)   16  0.504553D+00         -0.297093         -0.684082
 Vib (Bot)   17  0.464179D+00         -0.333314         -0.767485
 Vib (Bot)   18  0.445332D+00         -0.351316         -0.808935
 Vib (Bot)   19  0.440258D+00         -0.356293         -0.820394
 Vib (Bot)   20  0.408966D+00         -0.388313         -0.894123
 Vib (Bot)   21  0.387216D+00         -0.412046         -0.948772
 Vib (Bot)   22  0.358293D+00         -0.445762         -1.026404
 Vib (Bot)   23  0.338515D+00         -0.470423         -1.083188
 Vib (Bot)   24  0.267144D+00         -0.573255         -1.319968
 Vib (Bot)   25  0.243156D+00         -0.614115         -1.414051
 Vib (Bot)   26  0.240946D+00         -0.618079         -1.423180
 Vib (Bot)   27  0.238757D+00         -0.622044         -1.432310
 Vib (V=0)       0.165614D+06          5.219097         12.017414
 Vib (V=0)    1  0.475219D+01          0.676894          1.558606
 Vib (V=0)    2  0.423592D+01          0.626948          1.443601
 Vib (V=0)    3  0.347237D+01          0.540626          1.244838
 Vib (V=0)    4  0.265942D+01          0.424786          0.978107
 Vib (V=0)    5  0.220789D+01          0.343977          0.792036
 Vib (V=0)    6  0.192821D+01          0.285154          0.656591
 Vib (V=0)    7  0.191164D+01          0.281405          0.647959
 Vib (V=0)    8  0.181177D+01          0.258102          0.594303
 Vib (V=0)    9  0.155307D+01          0.191192          0.440236
 Vib (V=0)   10  0.141446D+01          0.150592          0.346751
 Vib (V=0)   11  0.140320D+01          0.147119          0.338753
 Vib (V=0)   12  0.136151D+01          0.134020          0.308593
 Vib (V=0)   13  0.135506D+01          0.131959          0.303846
 Vib (V=0)   14  0.125207D+01          0.097630          0.224802
 Vib (V=0)   15  0.123978D+01          0.093346          0.214936
 Vib (V=0)   16  0.121033D+01          0.082905          0.190896
 Vib (V=0)   17  0.118225D+01          0.072709          0.167418
 Vib (V=0)   18  0.116957D+01          0.068025          0.156634
 Vib (V=0)   19  0.116620D+01          0.066774          0.153754
 Vib (V=0)   20  0.114595D+01          0.059166          0.136235
 Vib (V=0)   21  0.113241D+01          0.054002          0.124344
 Vib (V=0)   22  0.111512D+01          0.047322          0.108963
 Vib (V=0)   23  0.110381D+01          0.042896          0.098772
 Vib (V=0)   24  0.106689D+01          0.028120          0.064749
 Vib (V=0)   25  0.105599D+01          0.023660          0.054479
 Vib (V=0)   26  0.105503D+01          0.023264          0.053567
 Vib (V=0)   27  0.105408D+01          0.022874          0.052668
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.229324D+09          8.360449         19.250646
 Rotational      0.332990D+07          6.522432         15.018454
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       28           0.000000000    0.000000000   -0.000036981
      2        7           0.000016409   -0.000025090    0.000012903
      3        7          -0.000008500   -0.000029420   -0.000010402
      4        7           0.000008500    0.000029420   -0.000010402
      5        7          -0.000016409    0.000025090    0.000012903
      6        6          -0.000012150    0.000002209    0.000004455
      7        1           0.000004897    0.000002317   -0.000007424
      8        6           0.000009887    0.000010029   -0.000012470
      9        1           0.000000486   -0.000001750   -0.000002677
     10        6          -0.000009307    0.000005928    0.000014783
     11        1           0.000000291   -0.000001907    0.000000838
     12        6           0.000001385   -0.000013547    0.000004025
     13        6           0.000010962    0.000024565    0.000010930
     14        1          -0.000000808   -0.000001909    0.000000997
     15        6          -0.000011474    0.000013314    0.000011659
     16        1           0.000011100   -0.000002914   -0.000000668
     17        6           0.000011525    0.000001691   -0.000002402
     18        1          -0.000002776   -0.000001846   -0.000000517
     19        1          -0.000003618    0.000002985   -0.000000029
     20        6          -0.000008927    0.000004225   -0.000005005
     21        1           0.000004332    0.000001488   -0.000000542
     22        1           0.000004963   -0.000002309    0.000000038
     23        6           0.000008927   -0.000004225   -0.000005005
     24        1          -0.000004963    0.000002309    0.000000038
     25        1          -0.000004332   -0.000001488   -0.000000542
     26        6          -0.000011525   -0.000001691   -0.000002402
     27        1           0.000003618   -0.000002985   -0.000000029
     28        1           0.000002776    0.000001846   -0.000000517
     29        6           0.000011474   -0.000013314    0.000011659
     30        1          -0.000011100    0.000002914   -0.000000668
     31        6          -0.000010962   -0.000024565    0.000010930
     32        1           0.000000808    0.000001909    0.000000997
     33        6          -0.000001385    0.000013547    0.000004025
     34        6           0.000009307   -0.000005928    0.000014783
     35        1          -0.000000291    0.000001907    0.000000838
     36        6          -0.000009887   -0.000010029   -0.000012470
     37        1          -0.000000486    0.000001750   -0.000002677
     38        6           0.000012150   -0.000002209    0.000004455
     39        1          -0.000004897   -0.000002317   -0.000007424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000036981 RMS     0.000009903
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.142255D+03 -0.986754D+01  0.000000D+00
      2  -0.986754D+01  0.303721D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.373387D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.380719D+02 -0.117241D+03  0.000000D+00
      2   0.405689D+02  0.213911D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.253684D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.227650D+03
      2   0.000000D+00  0.000000D+00  0.261884D+03
      3   0.000000D+00  0.000000D+00 -0.342344D+02
      4   0.000000D+00  0.000000D+00 -0.643948D+02
      5  -0.889268D+02 -0.404392D+02  0.000000D+00
      6  -0.829044D+02  0.527485D+03  0.000000D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.102335D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.000000D+00 -0.390349D+00  0.000000D+00  0.000000D+00
      3  -0.102335D+01 -0.390349D+00  0.000000D+00  0.159178D+00 -0.744398D+00
                 6             7             8             9            10 
      1   0.159178D+00 -0.135251D+00  0.141510D+01  0.000000D+00  0.217886D+00
      2  -0.744398D+00  0.141510D+01 -0.128839D+02  0.000000D+00 -0.141079D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.163124D+02  0.521330D+00
                11            12            13            14            15 
      1  -0.141079D+01  0.521330D+00 -0.375888D+00  0.621875D+00  0.125146D+01
      2   0.120878D+01 -0.369599D+00  0.621875D+00 -0.824770D+01 -0.369052D+01
      3  -0.369599D+00 -0.132464D+01  0.125146D+01 -0.369052D+01 -0.149239D+02
                16            17            18            19            20 
      1  -0.597623D+00  0.395063D+00 -0.193310D+01  0.766939D+00 -0.339936D+01
      2   0.395063D+00 -0.184528D+02  0.282888D+01 -0.339936D+01  0.169123D+01
      3  -0.193310D+01  0.282888D+01  0.238595D+02 -0.278790D+01  0.562331D+00
                21            22            23            24            25 
      1  -0.278790D+01 -0.174301D+01  0.509627D+01  0.764999D+01 -0.831734D+00
      2   0.562331D+00  0.509627D+01 -0.414909D+02 -0.529946D+02  0.184126D+01
      3  -0.399769D+01  0.764999D+01 -0.529946D+02 -0.737638D+02  0.372266D+01
                26            27            28            29            30 
      1   0.184126D+01  0.372266D+01 -0.766939D+00  0.339936D+01 -0.278790D+01
      2  -0.126352D+01 -0.124349D+02  0.339936D+01 -0.169123D+01  0.562331D+00
      3  -0.124349D+02 -0.242325D+02 -0.278790D+01  0.562331D+00  0.399769D+01
                31            32            33            34            35 
      1   0.174301D+01 -0.509627D+01  0.764999D+01 -0.831734D+00  0.184126D+01
      2  -0.509627D+01  0.414909D+02 -0.529946D+02  0.184126D+01 -0.126352D+01
      3   0.764999D+01 -0.529946D+02  0.737638D+02 -0.372266D+01  0.124349D+02
                36            37            38            39            40 
      1  -0.372266D+01 -0.217886D+00  0.141079D+01  0.521330D+00  0.375888D+00
      2   0.124349D+02  0.141079D+01 -0.120878D+01 -0.369599D+00 -0.621875D+00
      3  -0.242325D+02  0.521330D+00 -0.369599D+00  0.132464D+01  0.125146D+01
                41            42            43            44            45 
      1  -0.621875D+00  0.125146D+01 -0.597623D+00  0.395063D+00  0.193310D+01
      2   0.824770D+01 -0.369052D+01  0.395063D+00 -0.184528D+02 -0.282888D+01
      3  -0.369052D+01  0.149239D+02  0.193310D+01 -0.282888D+01  0.238595D+02
                46            47            48            49            50 
      1  -0.946079D+00  0.845141D+00  0.700196D+01 -0.258999D+01 -0.663251D+00
      2   0.845141D+00 -0.130101D+01  0.644133D+00 -0.663251D+00  0.157937D+02
      3   0.700196D+01  0.644133D+00  0.312044D+01  0.278315D+01 -0.264710D+01
                51            52            53            54            55 
      1   0.278315D+01  0.783293D+00 -0.389552D+00  0.161142D+01  0.138251D+00
      2  -0.264710D+01 -0.389552D+00  0.146637D+02 -0.286027D+01 -0.455261D+00
      3  -0.346434D+02  0.161142D+01 -0.286027D+01 -0.120153D+02 -0.698106D+00
                56            57            58            59            60 
      1  -0.455261D+00 -0.698106D+00 -0.377733D+00 -0.107847D+00  0.177836D+00
      2  -0.192945D+00 -0.203111D-01 -0.107847D+00 -0.199330D+01  0.160850D+01
      3  -0.203111D-01 -0.544998D+00  0.177836D+00  0.160850D+01 -0.250321D+01
                61            62            63            64            65 
      1   0.739490D+00  0.257712D-01 -0.437606D+00 -0.139937D+01  0.410398D+01
      2   0.257712D-01  0.154875D+01 -0.138613D+01  0.410398D+01  0.389900D+00
      3  -0.437606D+00 -0.138613D+01  0.759877D+01  0.591711D+01  0.317577D+00
                66            67            68            69            70 
      1   0.591711D+01  0.157758D+01  0.454435D-01 -0.289909D+01  0.348734D+01
      2   0.317577D+00  0.454435D-01 -0.948689D+01  0.116734D+02 -0.993445D-01
      3  -0.919487D-01 -0.289909D+01  0.116734D+02  0.401637D+02  0.199722D+01
                71            72            73            74            75 
      1  -0.993445D-01  0.199722D+01 -0.661227D-01 -0.606603D-01 -0.241082D+00
      2   0.145223D+02 -0.171789D+01 -0.606603D-01 -0.679266D+00 -0.813027D+00
      3  -0.171789D+01 -0.165363D+02 -0.241082D+00 -0.813027D+00 -0.117779D+01
                76            77            78            79            80 
      1   0.471726D+00 -0.482630D+00 -0.472521D+00  0.814106D+00 -0.622250D+00
      2  -0.482630D+00  0.478245D+01  0.449519D+01 -0.622250D+00  0.489566D+01
      3  -0.472521D+00  0.449519D+01  0.466005D+01 -0.104470D+01  0.671734D+01
                81            82            83            84            85 
      1  -0.104470D+01 -0.882471D+00  0.736778D+01  0.282632D+01  0.343207D+01
      2   0.671734D+01  0.736778D+01 -0.104413D+00 -0.139394D+01 -0.103657D+01
      3   0.117672D+02  0.282632D+01 -0.139394D+01 -0.322807D+01 -0.205604D+01
                86            87            88            89            90 
      1  -0.103657D+01 -0.205604D+01 -0.174190D+01 -0.851401D+00 -0.369525D+01
      2   0.134707D+02  0.163786D+02 -0.851401D+00  0.107314D-02  0.203818D+02
      3   0.163786D+02  0.241057D+02 -0.369525D+01  0.203818D+02  0.400464D+02
                91            92            93            94            95 
      1   0.427826D-01 -0.376047D+00 -0.509173D+00  0.844629D+00 -0.619038D+00
      2  -0.376047D+00 -0.542510D+00 -0.174536D+00 -0.619038D+00  0.147657D+02
      3  -0.509173D+00 -0.174536D+00 -0.118978D+00  0.979032D-01  0.317022D-02
                96            97            98            99           100 
      1   0.979032D-01 -0.155879D+00  0.249893D-01 -0.152366D+00  0.499696D+00
      2   0.317022D-02  0.249893D-01 -0.321406D+01  0.145818D+01  0.178516D-01
      3  -0.104690D+01 -0.152366D+00  0.145818D+01  0.890236D+00 -0.246011D+01
               101           102           103           104           105 
      1   0.178516D-01 -0.246011D+01 -0.156232D+01  0.168326D+01  0.171625D+01
      2   0.247154D+01  0.330346D+01  0.168326D+01 -0.142091D+02 -0.197219D+02
      3   0.330346D+01  0.528022D+01  0.171625D+01 -0.197219D+02 -0.146554D+02
               106           107           108           109           110 
      1  -0.327286D+00  0.248357D+01  0.414268D+01  0.307685D+00  0.191541D+01
      2   0.248357D+01 -0.229731D+02 -0.298087D+02  0.191541D+01 -0.248986D+01
      3   0.414268D+01 -0.298087D+02 -0.455636D+02 -0.285241D+01 -0.148005D+00
               111           112           113           114           115 
      1  -0.285241D+01  0.131093D+01 -0.456061D+01 -0.641437D+01 -0.136895D+01
      2  -0.148005D+00 -0.456061D+01  0.376648D+02  0.514639D+02 -0.997071D+00
      3   0.136085D+01 -0.641437D+01  0.514639D+02  0.710542D+02 -0.186288D+01
               116           117           118           119           120 
      1  -0.997071D+00 -0.186288D+01  0.666453D-01  0.798568D+00 -0.205353D+00
      2   0.150653D+02  0.173870D+02  0.798568D+00 -0.634606D-01 -0.968178D+00
      3   0.173870D+02  0.221435D+02 -0.205353D+00 -0.968178D+00 -0.142455D+01
               121           122           123           124           125 
      1   0.797415D+00  0.353227D+00 -0.117063D+00 -0.366516D+00 -0.297718D+00
      2   0.353227D+00  0.514435D+01 -0.455308D+01 -0.297718D+00 -0.192836D+01
      3  -0.117063D+00 -0.455308D+01  0.354603D+01 -0.196868D+00  0.518567D+01
               126           127           128           129           130 
      1  -0.196868D+00 -0.740359D+01  0.373832D+01  0.429590D+01  0.181371D+01
      2   0.518567D+01  0.373832D+01 -0.747312D-01 -0.697497D+01 -0.585794D+00
      3  -0.148378D+01  0.429590D+01 -0.697497D+01 -0.923312D+01 -0.221528D+01
               131           132           133           134           135 
      1  -0.585794D+00 -0.221528D+01  0.137424D+01 -0.265282D+01 -0.356449D+01
      2   0.743000D+01  0.509585D+01 -0.265282D+01  0.553328D+01  0.854374D+01
      3   0.509585D+01  0.417537D+01 -0.356449D+01  0.854374D+01  0.236829D+02
               136           137           138           139           140 
      1   0.740997D+01 -0.213442D+01 -0.519046D+01 -0.709473D+00  0.118611D+01
      2  -0.213442D+01  0.179403D+01  0.514563D+01  0.118611D+01 -0.266194D+01
      3  -0.519046D+01  0.514563D+01  0.112763D+02  0.333114D+00 -0.133963D+01
               141           142           143           144           145 
      1   0.333114D+00 -0.391377D+00  0.431597D+00  0.189106D+01  0.591916D+01
      2  -0.133963D+01  0.431597D+00 -0.551813D+00 -0.150861D+01 -0.205937D+01
      3  -0.379570D+00  0.189106D+01 -0.150861D+01 -0.624317D+01  0.178138D-01
               146           147           148           149           150 
      1  -0.205937D+01  0.178138D-01 -0.148442D+01 -0.232184D+01  0.212452D+00
      2  -0.316806D+01  0.140821D+01 -0.232184D+01 -0.292330D+01  0.813787D+00
      3   0.140821D+01 -0.240686D+01  0.212452D+00  0.813787D+00  0.729573D+01
               151           152           153           154           155 
      1  -0.237997D+00  0.186722D+00 -0.114213D+01  0.692921D+00  0.182606D+01
      2   0.186722D+00  0.508462D+00  0.303027D+01  0.182606D+01  0.247087D+01
      3  -0.114213D+01  0.303027D+01 -0.481265D+01 -0.549381D+00 -0.805765D+00
               156           157           158           159           160 
      1  -0.549381D+00  0.122498D+01  0.176397D+01 -0.341312D+00 -0.117319D+00
      2  -0.805765D+00  0.176397D+01  0.784601D+01 -0.226201D+01 -0.151829D+00
      3   0.206589D+01 -0.341312D+00 -0.226201D+01  0.231679D+01  0.822849D+00
               161           162           163           164           165 
      1  -0.151829D+00  0.822849D+00 -0.656090D+01  0.181085D+01 -0.134254D+01
      2  -0.468881D+00  0.162330D+01  0.181085D+01 -0.145028D+01  0.517394D+00
      3   0.162330D+01 -0.252338D+00 -0.134254D+01  0.517394D+00 -0.297835D+01
               166           167           168           169           170 
      1   0.867759D+00 -0.102830D+01  0.367775D+00  0.943621D-02 -0.480504D-01
      2  -0.102830D+01  0.138493D+01 -0.545440D+00 -0.480504D-01 -0.324546D-01
      3   0.367775D+00 -0.545440D+00 -0.858082D+00 -0.114339D+01  0.212764D+00
               171           172           173           174           175 
      1  -0.114339D+01 -0.678489D+01 -0.359629D+00  0.184869D+01  0.165110D+00
      2   0.212764D+00 -0.359629D+00  0.225536D+01 -0.806921D+00  0.174403D+01
      3   0.493819D+00  0.184869D+01 -0.806921D+00  0.436184D+01 -0.571372D+00
               176           177           178           179           180 
      1   0.174403D+01 -0.571372D+00  0.764345D+00 -0.263691D+00  0.245646D+01
      2   0.163293D+01  0.678463D+00 -0.263691D+00  0.964126D+00 -0.619781D+01
      3   0.678463D+00 -0.843297D+01  0.245646D+01 -0.619781D+01  0.307999D+01
               181           182           183           184           185 
      1   0.785856D+01  0.858923D+00 -0.303469D+01 -0.534516D-01  0.885855D+00
      2   0.858923D+00  0.132432D+01 -0.175190D+00  0.885855D+00 -0.222850D+00
      3  -0.303469D+01 -0.175190D+00  0.311057D+01 -0.390966D-01 -0.577662D+00
               186           187           188           189           190 
      1  -0.390966D-01 -0.769406D+00 -0.473056D-01  0.140950D+01 -0.274614D+00
      2  -0.577662D+00 -0.473056D-01 -0.138426D+00  0.837138D+00  0.805885D+00
      3   0.753654D+00  0.140950D+01  0.837138D+00 -0.134129D+01 -0.204624D+01
               191           192           193           194           195 
      1   0.805885D+00 -0.204624D+01  0.527828D+00 -0.753795D+00  0.456623D+00
      2  -0.126140D+01  0.946875D+00 -0.753795D+00  0.265061D+01 -0.350665D+01
      3   0.946875D+00 -0.387792D+01  0.456623D+00 -0.350665D+01  0.599371D+01
               196           197           198           199           200 
      1  -0.998637D+00  0.324513D+00 -0.143642D+01  0.678489D+01  0.359629D+00
      2   0.324513D+00 -0.223727D+01  0.415270D+01  0.359629D+00 -0.225536D+01
      3  -0.143642D+01  0.415270D+01 -0.129254D+02  0.184869D+01 -0.806921D+00
               201           202           203           204           205 
      1   0.184869D+01 -0.165110D+00 -0.174403D+01 -0.571372D+00  0.764345D+00
      2  -0.806921D+00 -0.174403D+01 -0.163293D+01  0.678463D+00 -0.263691D+00
      3  -0.436184D+01 -0.571372D+00  0.678463D+00  0.843297D+01 -0.245646D+01
               206           207           208           209           210 
      1  -0.263691D+00 -0.245646D+01  0.274614D+00 -0.805885D+00 -0.204624D+01
      2   0.964126D+00  0.619781D+01 -0.805885D+00  0.126140D+01  0.946875D+00
      3   0.619781D+01  0.307999D+01 -0.204624D+01  0.946875D+00  0.387792D+01
               211           212           213           214           215 
      1  -0.527828D+00  0.753795D+00  0.456623D+00 -0.998637D+00  0.324513D+00
      2   0.753795D+00 -0.265061D+01 -0.350665D+01  0.324513D+00 -0.223727D+01
      3   0.456623D+00 -0.350665D+01 -0.599371D+01  0.143642D+01 -0.415270D+01
               216           217           218           219           220 
      1   0.143642D+01 -0.785856D+01 -0.858923D+00 -0.303469D+01  0.534516D-01
      2  -0.415270D+01 -0.858923D+00 -0.132432D+01 -0.175190D+00 -0.885855D+00
      3  -0.129254D+02 -0.303469D+01 -0.175190D+00 -0.311057D+01 -0.390966D-01
               221           222           223           224           225 
      1  -0.885855D+00 -0.390966D-01 -0.769406D+00 -0.473056D-01 -0.140950D+01
      2   0.222850D+00 -0.577662D+00 -0.473056D-01 -0.138426D+00 -0.837138D+00
      3  -0.577662D+00 -0.753654D+00 -0.140950D+01 -0.837138D+00 -0.134129D+01
               226           227           228           229           230 
      1  -0.591916D+01  0.205937D+01  0.178138D-01  0.148442D+01  0.232184D+01
      2   0.205937D+01  0.316806D+01  0.140821D+01  0.232184D+01  0.292330D+01
      3   0.178138D-01  0.140821D+01  0.240686D+01  0.212452D+00  0.813787D+00
               231           232           233           234           235 
      1   0.212452D+00 -0.237997D+00  0.186722D+00  0.114213D+01  0.656090D+01
      2   0.813787D+00  0.186722D+00  0.508462D+00 -0.303027D+01 -0.181085D+01
      3  -0.729573D+01  0.114213D+01 -0.303027D+01 -0.481265D+01 -0.134254D+01
               236           237           238           239           240 
      1  -0.181085D+01 -0.134254D+01 -0.867759D+00  0.102830D+01  0.367775D+00
      2   0.145028D+01  0.517394D+00  0.102830D+01 -0.138493D+01 -0.545440D+00
      3   0.517394D+00  0.297835D+01  0.367775D+00 -0.545440D+00  0.858082D+00
               241           242           243           244           245 
      1   0.943621D-02 -0.480504D-01  0.114339D+01 -0.692921D+00 -0.182606D+01
      2  -0.480504D-01 -0.324546D-01 -0.212764D+00 -0.182606D+01 -0.247087D+01
      3   0.114339D+01 -0.212764D+00  0.493819D+00 -0.549381D+00 -0.805765D+00
               246           247           248           249           250 
      1  -0.549381D+00 -0.122498D+01 -0.176397D+01 -0.341312D+00 -0.117319D+00
      2  -0.805765D+00 -0.176397D+01 -0.784601D+01 -0.226201D+01 -0.151829D+00
      3  -0.206589D+01 -0.341312D+00 -0.226201D+01 -0.231679D+01 -0.822849D+00
               251           252           253           254           255 
      1  -0.151829D+00 -0.822849D+00  0.740359D+01 -0.373832D+01  0.429590D+01
      2  -0.468881D+00 -0.162330D+01 -0.373832D+01  0.747312D-01 -0.697497D+01
      3  -0.162330D+01 -0.252338D+00  0.429590D+01 -0.697497D+01  0.923312D+01
               256           257           258           259           260 
      1  -0.181371D+01  0.585794D+00 -0.221528D+01  0.137424D+01 -0.265282D+01
      2   0.585794D+00 -0.743000D+01  0.509585D+01 -0.265282D+01  0.553328D+01
      3  -0.221528D+01  0.509585D+01 -0.417537D+01  0.356449D+01 -0.854374D+01
               261           262           263           264           265 
      1   0.356449D+01 -0.740997D+01  0.213442D+01 -0.519046D+01  0.709473D+00
      2  -0.854374D+01  0.213442D+01 -0.179403D+01  0.514563D+01 -0.118611D+01
      3   0.236829D+02 -0.519046D+01  0.514563D+01 -0.112763D+02  0.333114D+00
               266           267           268           269           270 
      1  -0.118611D+01  0.333114D+00 -0.391377D+00  0.431597D+00 -0.189106D+01
      2   0.266194D+01 -0.133963D+01  0.431597D+00 -0.551813D+00  0.150861D+01
      3  -0.133963D+01  0.379570D+00 -0.189106D+01  0.150861D+01 -0.624317D+01
               271           272           273           274           275 
      1  -0.307685D+00 -0.191541D+01 -0.285241D+01 -0.131093D+01  0.456061D+01
      2  -0.191541D+01  0.248986D+01 -0.148005D+00  0.456061D+01 -0.376648D+02
      3  -0.285241D+01 -0.148005D+00 -0.136085D+01 -0.641437D+01  0.514639D+02
               276           277           278           279           280 
      1  -0.641437D+01 -0.136895D+01 -0.997071D+00  0.186288D+01 -0.666453D-01
      2   0.514639D+02 -0.997071D+00  0.150653D+02 -0.173870D+02 -0.798568D+00
      3  -0.710542D+02  0.186288D+01 -0.173870D+02  0.221435D+02 -0.205353D+00
               281           282           283           284           285 
      1  -0.798568D+00 -0.205353D+00 -0.797415D+00 -0.353227D+00 -0.117063D+00
      2   0.634606D-01 -0.968178D+00 -0.353227D+00 -0.514435D+01 -0.455308D+01
      3  -0.968178D+00  0.142455D+01 -0.117063D+00 -0.455308D+01 -0.354603D+01
               286           287           288           289           290 
      1  -0.366516D+00 -0.297718D+00  0.196868D+00 -0.499696D+00 -0.178516D-01
      2  -0.297718D+00 -0.192836D+01 -0.518567D+01 -0.178516D-01 -0.247154D+01
      3   0.196868D+00 -0.518567D+01 -0.148378D+01 -0.246011D+01  0.330346D+01
               291           292           293           294           295 
      1  -0.246011D+01  0.156232D+01 -0.168326D+01  0.171625D+01 -0.327286D+00
      2   0.330346D+01 -0.168326D+01  0.142091D+02 -0.197219D+02  0.248357D+01
      3  -0.528022D+01  0.171625D+01 -0.197219D+02  0.146554D+02 -0.414268D+01
               296           297           298           299           300 
      1   0.248357D+01 -0.414268D+01  0.882471D+00 -0.736778D+01  0.282632D+01
      2  -0.229731D+02  0.298087D+02 -0.736778D+01  0.104413D+00 -0.139394D+01
      3   0.298087D+02 -0.455636D+02  0.282632D+01 -0.139394D+01  0.322807D+01
               301           302           303           304           305 
      1  -0.343207D+01  0.103657D+01 -0.205604D+01 -0.174190D+01 -0.851401D+00
      2   0.103657D+01 -0.134707D+02  0.163786D+02 -0.851401D+00  0.107313D-02
      3  -0.205604D+01  0.163786D+02 -0.241057D+02  0.369525D+01 -0.203818D+02
               306           307           308           309           310 
      1   0.369525D+01 -0.427826D-01  0.376047D+00 -0.509173D+00 -0.844629D+00
      2  -0.203818D+02  0.376047D+00  0.542510D+00 -0.174536D+00  0.619038D+00
      3   0.400464D+02 -0.509173D+00 -0.174536D+00  0.118978D+00  0.979032D-01
               311           312           313           314           315 
      1   0.619038D+00  0.979032D-01 -0.155879D+00  0.249893D-01  0.152366D+00
      2  -0.147657D+02  0.317022D-02  0.249893D-01 -0.321406D+01 -0.145818D+01
      3   0.317022D-02  0.104690D+01  0.152366D+00 -0.145818D+01  0.890236D+00
               316           317           318           319           320 
      1   0.139937D+01 -0.410398D+01  0.591711D+01 -0.157758D+01 -0.454435D-01
      2  -0.410398D+01 -0.389900D+00  0.317577D+00 -0.454435D-01  0.948689D+01
      3   0.591711D+01  0.317577D+00  0.919487D-01 -0.289909D+01  0.116734D+02
               321           322           323           324           325 
      1  -0.289909D+01  0.348734D+01 -0.993445D-01 -0.199722D+01  0.661227D-01
      2   0.116734D+02 -0.993445D-01  0.145223D+02  0.171789D+01  0.606603D-01
      3  -0.401637D+02 -0.199722D+01  0.171789D+01 -0.165363D+02 -0.241082D+00
               326           327           328           329           330 
      1   0.606603D-01 -0.241082D+00 -0.471726D+00  0.482630D+00 -0.472521D+00
      2   0.679266D+00 -0.813027D+00  0.482630D+00 -0.478245D+01  0.449519D+01
      3  -0.813027D+00  0.117779D+01 -0.472521D+00  0.449519D+01 -0.466005D+01
               331           332           333           334           335 
      1   0.814106D+00 -0.622250D+00  0.104470D+01  0.946079D+00 -0.845141D+00
      2  -0.622250D+00  0.489566D+01 -0.671734D+01 -0.845141D+00  0.130101D+01
      3   0.104470D+01 -0.671734D+01  0.117672D+02  0.700196D+01  0.644133D+00
               336           337           338           339           340 
      1   0.700196D+01  0.258999D+01  0.663251D+00  0.278315D+01  0.783293D+00
      2   0.644133D+00  0.663251D+00 -0.157937D+02 -0.264710D+01 -0.389552D+00
      3  -0.312044D+01  0.278315D+01 -0.264710D+01  0.346434D+02 -0.161142D+01
               341           342           343           344           345 
      1  -0.389552D+00 -0.161142D+01 -0.138251D+00  0.455261D+00 -0.698106D+00
      2   0.146637D+02  0.286027D+01  0.455261D+00  0.192945D+00 -0.203111D-01
      3   0.286027D+01 -0.120153D+02 -0.698106D+00 -0.203111D-01  0.544998D+00
               346           347           348           349           350 
      1   0.377733D+00  0.107847D+00  0.177836D+00  0.739490D+00  0.257712D-01
      2   0.107847D+00  0.199330D+01  0.160850D+01  0.257712D-01  0.154875D+01
      3   0.177836D+00  0.160850D+01  0.250321D+01  0.437606D+00  0.138613D+01
               351 
      1   0.437606D+00
      2   0.138613D+01
      3   0.759877D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00  0.865694D+01  0.000000D+00  0.118543D-05
      2   0.000000D+00  0.000000D+00  0.203200D+02  0.000000D+00  0.000000D+00
      3   0.435282D+00 -0.547059D+02  0.000000D+00 -0.721006D+01  0.918290D+01
                 6             7             8             9            10 
      1  -0.219468D+02 -0.754897D+00  0.906714D+02  0.000000D+00 -0.363951D+01
      2   0.717801D+00  0.204002D+01 -0.140254D+02  0.000000D+00 -0.376405D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.145096D+01 -0.408672D+00
                11            12            13            14            15 
      1   0.101005D+01  0.348199D+00 -0.421370D+01 -0.495676D+02  0.165255D+03
      2   0.383738D+02  0.189928D+02 -0.518170D+00 -0.148004D+01  0.462893D+01
      3  -0.154391D+02  0.259412D+02  0.488486D+01 -0.184994D+01  0.371223D+01
                16            17            18            19            20 
      1   0.242501D+02 -0.274446D+03 -0.246710D+03  0.192618D+02 -0.260172D+01
      2   0.436811D+01 -0.408184D+01 -0.291173D+01  0.345495D+01 -0.648450D+02
      3   0.169244D+01  0.688515D+00 -0.627829D+01  0.452701D+01 -0.217568D+02
                21            22            23            24            25 
      1   0.113270D+02 -0.247603D+02  0.653503D+02  0.450125D+03 -0.291832D+02
      2  -0.177611D+02 -0.802072D+01 -0.138521D+02  0.383451D+00 -0.888952D+01
      3  -0.602549D+02  0.586418D+01 -0.614766D+01 -0.235144D+01  0.168627D+00
                26            27            28            29            30 
      1   0.228318D+03  0.181293D+03 -0.192618D+02  0.260172D+01  0.113270D+02
      2   0.473035D+01 -0.605842D+00 -0.345495D+01  0.648450D+02 -0.177611D+02
      3   0.151516D+01 -0.435688D+01  0.452701D+01 -0.217568D+02  0.602549D+02
                31            32            33            34            35 
      1   0.247603D+02 -0.653503D+02  0.450125D+03 -0.291832D+02  0.228318D+03
      2   0.802072D+01  0.138521D+02  0.383449D+00 -0.888952D+01  0.473035D+01
      3   0.586418D+01 -0.614766D+01  0.235145D+01 -0.168627D+00 -0.151516D+01
                36            37            38            39            40 
      1  -0.181293D+03  0.363951D+01 -0.101005D+01  0.348200D+00  0.421370D+01
      2   0.605843D+00  0.376405D+01 -0.383738D+02  0.189928D+02  0.518170D+00
      3  -0.435688D+01 -0.408672D+00 -0.154391D+02 -0.259412D+02  0.488486D+01
                41            42            43            44            45 
      1   0.495676D+02  0.165255D+03  0.242501D+02 -0.274446D+03  0.246710D+03
      2   0.148004D+01  0.462893D+01  0.436811D+01 -0.408184D+01  0.291173D+01
      3  -0.184994D+01 -0.371223D+01 -0.169244D+01 -0.688516D+00 -0.627829D+01
                46            47            48            49            50 
      1  -0.369967D+02 -0.327468D+01 -0.147307D+02 -0.148902D+02  0.133987D+02
      2   0.162740D+01 -0.762512D+01 -0.204340D+02  0.797405D+01  0.100518D+01
      3  -0.587391D+00 -0.584846D+01  0.358322D+01 -0.519601D+01 -0.822734D+00
                51            52            53            54            55 
      1   0.217246D+03 -0.120282D+02  0.101385D+03  0.108577D+03  0.541518D+01
      2   0.169706D+01 -0.648649D+01  0.186459D+01  0.388241D+00 -0.451931D+00
      3   0.376138D+01  0.732758D+00 -0.425211D+00  0.411834D+01 -0.296325D+00
                56            57            58            59            60 
      1   0.184440D+00 -0.287657D+00 -0.450988D+00 -0.268434D+02  0.238219D+02
      2   0.221366D+01  0.483837D+01  0.223708D+01 -0.717571D+00  0.548992D+00
      3   0.639309D-01  0.689137D+01  0.595292D+00 -0.611069D+00  0.944264D+00
                61            62            63            64            65 
      1   0.242891D+01  0.149813D+02 -0.306762D+02 -0.152509D+02  0.375042D+01
      2  -0.368425D+01  0.406781D+00 -0.199885D-01  0.226098D+01 -0.171756D+02
      3   0.691547D-02  0.365642D+00 -0.879220D+00 -0.298387D+01  0.263288D+01
                66            67            68            69            70 
      1   0.523231D+01  0.180478D+02 -0.109501D+03 -0.238839D+03 -0.886828D+01
      2  -0.786315D+01 -0.281963D+01 -0.192930D+01 -0.175128D+01 -0.143112D+02
      3   0.151007D+02  0.219829D+01 -0.110610D+01 -0.625031D+01  0.151342D+02
                71            72            73            74            75 
      1   0.429220D+02  0.106287D+03  0.191643D+01  0.382524D+00  0.135737D+01
      2  -0.577749D+00 -0.162537D+01  0.400013D+00  0.324722D+01  0.268411D+01
      3   0.893054D+00  0.415165D+01 -0.338586D+00 -0.230462D+01 -0.208970D+01
                76            77            78            79            80 
      1   0.295232D+00 -0.166467D+01 -0.286704D+01  0.207701D+01 -0.617017D+01
      2  -0.262311D+01  0.506723D+00  0.402608D+00 -0.504990D+01  0.589266D+00
      3   0.268853D+01 -0.305840D+00 -0.552947D+00  0.421339D+01 -0.789476D+00
                81            82            83            84            85 
      1  -0.241886D+02  0.175357D+01  0.877998D+01  0.135123D+02  0.839281D+01
      2   0.494716D+00 -0.905039D+00 -0.285604D+01  0.242526D+02 -0.525383D+01
      3  -0.181008D+01 -0.154579D+01  0.243204D+02  0.151572D+02  0.134111D+02
                86            87            88            89            90 
      1  -0.579632D+02 -0.113142D+03  0.163345D+02 -0.131303D+03 -0.185937D+03
      2   0.175734D+01  0.178204D+01  0.133536D+02  0.321823D+01  0.565599D+01
      3   0.876958D+00 -0.176427D+01 -0.102826D+02 -0.409382D+00 -0.517542D+01
                91            92            93            94            95 
      1   0.140104D+01  0.624168D-01  0.641987D+00 -0.182998D+01  0.276310D+02
      2  -0.353970D-01 -0.271550D+00  0.407192D-01 -0.955907D+00  0.158634D+01
      3   0.335766D+00 -0.642405D+01 -0.515375D+01  0.636720D+01  0.381447D+00
                96            97            98            99           100 
      1   0.552906D+01  0.605953D+00 -0.897770D+01 -0.350673D+00  0.828408D+01
      2  -0.143128D+00 -0.167123D+00 -0.510218D+00  0.192227D+00  0.321165D+00
      3   0.674163D-01 -0.163105D+01 -0.875859D+00 -0.559037D+00  0.448210D+00
               101           102           103           104           105 
      1  -0.104620D+02 -0.206205D+02  0.110981D+01  0.542208D+02 -0.440851D+02
      2  -0.337792D+01  0.163648D+02  0.239838D+00 -0.607237D+01 -0.668957D+01
      3   0.489839D+00 -0.606645D+01 -0.520963D+01  0.704020D+00 -0.198358D+01
               106           107           108           109           110 
      1  -0.181903D+02  0.151184D+03  0.297323D+03  0.115548D+02  0.869047D+01
      2  -0.121263D+02 -0.589065D+01  0.227917D-01 -0.286739D+01  0.275526D+02
      3   0.478811D+01 -0.145968D-01  0.530312D+01  0.360155D+01 -0.187095D+02
               111           112           113           114           115 
      1  -0.188201D+01  0.374333D+02 -0.309726D+03 -0.476178D+03  0.280663D+01
      2   0.401869D+02  0.486541D+01  0.992186D+01  0.141461D+01  0.113604D+02
      3  -0.267659D+02 -0.394394D+01 -0.181606D+01 -0.715466D+01 -0.102104D+02
               116           117           118           119           120 
      1  -0.415633D+02 -0.133837D+03  0.104348D+01  0.967766D+00  0.579074D+01
      2   0.479663D+01  0.251958D+01 -0.240349D+00  0.912825D+01  0.371892D+00
      3   0.157270D+01 -0.851442D+00 -0.261394D+00  0.352595D+01  0.897341D+01
               121           122           123           124           125 
      1   0.539483D+00  0.999847D+01 -0.152593D+02  0.158090D+01 -0.259269D+02
      2   0.218377D+01  0.132805D+00 -0.446022D+00 -0.200177D+01  0.967349D+00
      3   0.452063D+01  0.102066D+01 -0.944845D+00 -0.291649D+01 -0.458902D+00
               126           127           128           129           130 
      1   0.574819D+00 -0.263914D+02  0.460493D+01  0.440966D+02  0.782648D+01
      2   0.107357D+00 -0.162724D+02  0.206490D+02  0.226651D+02  0.580669D+01
      3   0.699621D+00 -0.618384D+01  0.640161D+01  0.141737D+02  0.309787D+01
               131           132           133           134           135 
      1  -0.838865D+02 -0.530569D+02  0.207167D+02 -0.444672D+02 -0.116404D+03
      2   0.131137D+01 -0.450895D+01  0.254720D+01  0.413440D+01  0.739388D+01
      3  -0.109635D+01 -0.111994D+00  0.914589D-01  0.191870D+01  0.536897D+01
               136           137           138           139           140 
      1   0.174019D+02 -0.142146D+02 -0.448505D+02 -0.486720D+01  0.184799D+02
      2   0.153125D+02 -0.281247D+01 -0.235074D+01 -0.114510D+01 -0.971467D+00
      3   0.577791D+01 -0.453019D+01 -0.339459D+01 -0.190802D+00  0.305465D+01
               141           142           143           144           145 
      1   0.255905D+01 -0.503628D+01  0.120934D+02  0.245506D+02  0.835705D+01
      2  -0.584049D+00 -0.124106D+01 -0.220142D+01  0.567159D+00  0.199973D+02
      3   0.275231D+01 -0.874103D-02 -0.413321D-01  0.826818D+00  0.101819D+02
               146           147           148           149           150 
      1   0.118698D+02 -0.582999D+01  0.117707D+02  0.123443D+02 -0.187098D+02
      2  -0.562485D+01  0.594793D+01 -0.563378D+01 -0.327507D+01  0.425360D+01
      3  -0.726006D+01  0.376025D+01 -0.117398D+01 -0.362870D+01  0.246707D+01
               151           152           153           154           155 
      1   0.109889D+01 -0.359545D+01 -0.281439D+01 -0.695103D+01 -0.100627D+02
      2  -0.334198D+01  0.241491D+01 -0.737699D+01  0.214630D+01  0.586254D+01
      3   0.498699D-01  0.929017D+00 -0.276023D+01  0.177222D+01  0.313324D+01
               156           157           158           159           160 
      1  -0.168619D+01 -0.706409D+01 -0.324287D+02  0.130004D+01 -0.117622D+01
      2  -0.479765D-01  0.425156D+01  0.553341D+01 -0.797766D+00 -0.902774D+00
      3  -0.143815D+01  0.499606D+01  0.406244D+01 -0.111899D+01 -0.347369D+00
               161           162           163           164           165 
      1  -0.231011D+01 -0.108364D+02 -0.528343D+01  0.530977D+01  0.533664D+01
      2  -0.800318D+00  0.315398D+01 -0.223448D+02  0.655069D+01 -0.198019D+00
      3  -0.582810D+00  0.120023D+01 -0.123390D+02  0.110082D+00 -0.219508D+01
               166           167           168           169           170 
      1   0.367161D+01 -0.537654D+01  0.229389D+01  0.246337D+01  0.278516D+00
      2   0.289818D+01 -0.371127D+01  0.114751D+01 -0.737072D+00 -0.737966D-01
      3   0.205255D+01 -0.143651D+01  0.576323D+00  0.207775D+00  0.267054D+00
               171           172           173           174           175 
      1  -0.430270D+01 -0.692764D-01 -0.107084D+02  0.373041D+00 -0.944186D+01
      2  -0.406149D+01 -0.326888D+02 -0.177948D+01  0.152632D+02  0.110932D+01
      3  -0.109375D+01 -0.554378D+01 -0.407437D+01  0.253851D+01  0.176265D+01
               176           177           178           179           180 
      1  -0.142163D+02 -0.269785D+00 -0.729945D+00  0.578933D+01  0.347437D+02
      2   0.860962D+01 -0.540639D+01  0.222709D+01 -0.289297D+01  0.150037D+02
      3   0.156108D+01 -0.228323D+01  0.690848D+00 -0.907346D+00  0.472208D+01
               181           182           183           184           185 
      1  -0.214693D+01 -0.787293D+01 -0.185116D+01 -0.455536D+01  0.252648D+01
      2   0.373469D+02  0.410266D+01 -0.989919D+01 -0.432001D+00  0.398259D+01
      3   0.670945D+01 -0.280317D+01 -0.270814D+01  0.587308D+00  0.115357D+01
               186           187           188           189           190 
      1   0.537116D+00 -0.931558D+00  0.241647D+00 -0.379144D+01 -0.239872D+01
      2   0.121935D-01 -0.375182D+01  0.515014D+00  0.661905D+01 -0.194161D+01
      3   0.399106D+00 -0.542577D+00  0.630750D-01  0.613813D+00 -0.616892D+00
               191           192           193           194           195 
      1   0.708519D+01 -0.606087D+00  0.378088D+01 -0.117655D+02  0.113658D+02
      2   0.384808D+01 -0.986766D+01  0.351353D+01 -0.430290D+01  0.369724D+01
      3  -0.116624D+00 -0.244627D+01  0.186959D+01 -0.105420D+01  0.151665D+01
               196           197           198           199           200 
      1  -0.307804D+00  0.121725D+02 -0.912213D+01  0.692765D-01  0.107084D+02
      2  -0.776175D+01  0.287303D+01 -0.987188D+01  0.326888D+02  0.177948D+01
      3  -0.186645D+01  0.102220D+01 -0.251482D+01 -0.554378D+01 -0.407437D+01
               201           202           203           204           205 
      1   0.373042D+00  0.944185D+01  0.142163D+02 -0.269785D+00 -0.729945D+00
      2   0.152632D+02 -0.110932D+01 -0.860962D+01 -0.540639D+01  0.222709D+01
      3  -0.253851D+01  0.176265D+01  0.156108D+01  0.228323D+01 -0.690848D+00
               206           207           208           209           210 
      1   0.578933D+01 -0.347438D+02  0.239872D+01 -0.708519D+01 -0.606088D+00
      2  -0.289297D+01 -0.150037D+02  0.194161D+01 -0.384808D+01 -0.986766D+01
      3   0.907346D+00  0.472208D+01 -0.616892D+00 -0.116624D+00  0.244627D+01
               211           212           213           214           215 
      1  -0.378088D+01  0.117655D+02  0.113658D+02 -0.307804D+00  0.121725D+02
      2  -0.351353D+01  0.430290D+01  0.369724D+01 -0.776175D+01  0.287303D+01
      3   0.186959D+01 -0.105420D+01 -0.151665D+01  0.186645D+01 -0.102220D+01
               216           217           218           219           220 
      1   0.912213D+01  0.214693D+01  0.787293D+01 -0.185116D+01  0.455536D+01
      2   0.987188D+01 -0.373469D+02 -0.410266D+01 -0.989919D+01  0.432001D+00
      3  -0.251482D+01  0.670945D+01 -0.280317D+01  0.270814D+01  0.587308D+00
               221           222           223           224           225 
      1  -0.252648D+01  0.537116D+00 -0.931558D+00  0.241647D+00  0.379144D+01
      2  -0.398259D+01  0.121930D-01 -0.375182D+01  0.515015D+00 -0.661905D+01
      3   0.115357D+01 -0.399106D+00  0.542577D+00 -0.630750D-01  0.613813D+00
               226           227           228           229           230 
      1  -0.835704D+01 -0.118698D+02 -0.582999D+01 -0.117707D+02 -0.123443D+02
      2  -0.199972D+02  0.562485D+01  0.594793D+01  0.563378D+01  0.327507D+01
      3   0.101819D+02 -0.726006D+01 -0.376025D+01 -0.117398D+01 -0.362870D+01
               231           232           233           234           235 
      1  -0.187098D+02  0.109889D+01 -0.359545D+01  0.281439D+01  0.528343D+01
      2   0.425360D+01 -0.334198D+01  0.241491D+01  0.737699D+01  0.223448D+02
      3  -0.246707D+01 -0.498699D-01 -0.929016D+00 -0.276023D+01 -0.123390D+02
               236           237           238           239           240 
      1  -0.530977D+01  0.533664D+01 -0.367161D+01  0.537654D+01  0.229389D+01
      2  -0.655069D+01 -0.198020D+00 -0.289818D+01  0.371127D+01  0.114751D+01
      3   0.110083D+00  0.219508D+01  0.205255D+01 -0.143651D+01 -0.576323D+00
               241           242           243           244           245 
      1   0.246337D+01  0.278516D+00  0.430270D+01  0.695103D+01  0.100627D+02
      2  -0.737072D+00 -0.737965D-01  0.406149D+01 -0.214630D+01 -0.586254D+01
      3  -0.207775D+00 -0.267055D+00 -0.109375D+01  0.177222D+01  0.313324D+01
               246           247           248           249           250 
      1  -0.168619D+01  0.706409D+01  0.324288D+02  0.130004D+01 -0.117622D+01
      2  -0.479764D-01 -0.425156D+01 -0.553341D+01 -0.797766D+00 -0.902775D+00
      3   0.143815D+01  0.499606D+01  0.406244D+01  0.111899D+01  0.347369D+00
               251           252           253           254           255 
      1  -0.231011D+01  0.108364D+02  0.263914D+02 -0.460493D+01  0.440966D+02
      2  -0.800318D+00 -0.315398D+01  0.162724D+02 -0.206490D+02  0.226651D+02
      3   0.582810D+00  0.120023D+01 -0.618384D+01  0.640161D+01 -0.141737D+02
               256           257           258           259           260 
      1  -0.782648D+01  0.838865D+02 -0.530569D+02  0.207167D+02 -0.444672D+02
      2  -0.580669D+01 -0.131137D+01 -0.450894D+01  0.254720D+01  0.413440D+01
      3   0.309787D+01 -0.109635D+01  0.111994D+00 -0.914589D-01 -0.191870D+01
               261           262           263           264           265 
      1   0.116404D+03 -0.174019D+02  0.142146D+02 -0.448505D+02  0.486720D+01
      2  -0.739388D+01 -0.153125D+02  0.281247D+01 -0.235074D+01  0.114510D+01
      3   0.536897D+01  0.577791D+01 -0.453019D+01  0.339459D+01 -0.190802D+00
               266           267           268           269           270 
      1  -0.184799D+02  0.255905D+01 -0.503628D+01  0.120934D+02 -0.245506D+02
      2   0.971466D+00 -0.584049D+00 -0.124106D+01 -0.220142D+01 -0.567161D+00
      3   0.305465D+01 -0.275231D+01  0.874121D-02  0.413305D-01  0.826818D+00
               271           272           273           274           275 
      1  -0.115548D+02 -0.869047D+01 -0.188200D+01 -0.374333D+02  0.309726D+03
      2   0.286739D+01 -0.275526D+02  0.401869D+02 -0.486541D+01 -0.992187D+01
      3   0.360155D+01 -0.187095D+02  0.267659D+02 -0.394394D+01 -0.181606D+01
               276           277           278           279           280 
      1  -0.476178D+03  0.280663D+01 -0.415633D+02  0.133837D+03 -0.104348D+01
      2   0.141462D+01  0.113604D+02  0.479663D+01 -0.251958D+01  0.240349D+00
      3   0.715466D+01  0.102104D+02 -0.157270D+01 -0.851443D+00 -0.261394D+00
               281           282           283           284           285 
      1  -0.967766D+00  0.579074D+01 -0.539483D+00 -0.999847D+01 -0.152593D+02
      2  -0.912825D+01  0.371892D+00 -0.218377D+01 -0.132805D+00 -0.446021D+00
      3   0.352595D+01 -0.897341D+01  0.452063D+01  0.102066D+01  0.944846D+00
               286           287           288           289           290 
      1   0.158090D+01 -0.259269D+02 -0.574818D+00 -0.828407D+01  0.104620D+02
      2  -0.200177D+01  0.967349D+00 -0.107358D+00 -0.321166D+00  0.337792D+01
      3   0.291649D+01  0.458902D+00  0.699621D+00  0.448209D+00  0.489837D+00
               291           292           293           294           295 
      1  -0.206205D+02 -0.110980D+01 -0.542208D+02 -0.440851D+02 -0.181903D+02
      2   0.163648D+02 -0.239838D+00  0.607237D+01 -0.668957D+01 -0.121263D+02
      3   0.606646D+01 -0.520963D+01  0.704021D+00  0.198358D+01 -0.478811D+01
               296           297           298           299           300 
      1   0.151184D+03 -0.297323D+03 -0.175359D+01 -0.877999D+01  0.135123D+02
      2  -0.589065D+01 -0.227884D-01  0.905039D+00  0.285604D+01  0.242526D+02
      3   0.145974D-01  0.530312D+01 -0.154579D+01  0.243204D+02 -0.151572D+02
               301           302           303           304           305 
      1  -0.839281D+01  0.579631D+02 -0.113142D+03  0.163345D+02 -0.131303D+03
      2   0.525383D+01 -0.175734D+01  0.178204D+01  0.133536D+02  0.321823D+01
      3   0.134111D+02  0.876958D+00  0.176427D+01  0.102826D+02  0.409381D+00
               306           307           308           309           310 
      1   0.185937D+03 -0.140104D+01 -0.624157D-01  0.641986D+00  0.182998D+01
      2  -0.565599D+01  0.353971D-01  0.271550D+00  0.407199D-01  0.955907D+00
      3  -0.517542D+01  0.335766D+00 -0.642405D+01  0.515375D+01  0.636720D+01
               311           312           313           314           315 
      1  -0.276310D+02  0.552906D+01  0.605953D+00 -0.897770D+01  0.350673D+00
      2  -0.158634D+01 -0.143128D+00 -0.167123D+00 -0.510218D+00 -0.192227D+00
      3   0.381447D+00 -0.674165D-01  0.163105D+01  0.875859D+00 -0.559037D+00
               316           317           318           319           320 
      1   0.152509D+02 -0.375042D+01  0.523230D+01 -0.180478D+02  0.109501D+03
      2  -0.226098D+01  0.171756D+02 -0.786315D+01  0.281963D+01  0.192930D+01
      3  -0.298387D+01  0.263288D+01 -0.151007D+02  0.219829D+01 -0.110610D+01
               321           322           323           324           325 
      1  -0.238839D+03 -0.886828D+01  0.429221D+02 -0.106287D+03 -0.191643D+01
      2  -0.175128D+01 -0.143112D+02 -0.577749D+00  0.162537D+01 -0.400013D+00
      3   0.625031D+01 -0.151342D+02 -0.893055D+00  0.415165D+01 -0.338586D+00
               326           327           328           329           330 
      1  -0.382523D+00  0.135737D+01 -0.295232D+00  0.166467D+01 -0.286704D+01
      2  -0.324722D+01  0.268411D+01  0.262311D+01 -0.506723D+00  0.402608D+00
      3  -0.230462D+01  0.208970D+01  0.268853D+01 -0.305840D+00  0.552947D+00
               331           332           333           334           335 
      1   0.207701D+01 -0.617017D+01  0.241886D+02  0.369967D+02  0.327468D+01
      2  -0.504990D+01  0.589266D+00 -0.494716D+00 -0.162740D+01  0.762512D+01
      3  -0.421339D+01  0.789476D+00 -0.181008D+01 -0.587391D+00 -0.584846D+01
               336           337           338           339           340 
      1  -0.147307D+02  0.148902D+02 -0.133987D+02  0.217246D+03 -0.120282D+02
      2  -0.204340D+02 -0.797405D+01 -0.100518D+01  0.169706D+01 -0.648649D+01
      3  -0.358322D+01 -0.519601D+01 -0.822734D+00 -0.376138D+01 -0.732758D+00
               341           342           343           344           345 
      1   0.101385D+03 -0.108577D+03 -0.541518D+01 -0.184441D+00 -0.287657D+00
      2   0.186459D+01 -0.388241D+00  0.451931D+00 -0.221366D+01  0.483837D+01
      3   0.425212D+00  0.411835D+01 -0.296325D+00  0.639309D-01 -0.689137D+01
               346           347           348           349           350 
      1   0.450988D+00  0.268434D+02  0.238219D+02  0.242891D+01  0.149813D+02
      2  -0.223708D+01  0.717571D+00  0.548993D+00 -0.368425D+01  0.406781D+00
      3   0.595292D+00 -0.611069D+00 -0.944264D+00 -0.691543D-02 -0.365642D+00
               351 
      1   0.306762D+02
      2   0.199882D-01
      3  -0.879220D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.339703D+02 -0.413389D+00  0.000000D+00  0.121469D+01  0.118793D+02
      2  -0.220877D+02 -0.362926D+01  0.000000D+00 -0.610272D+00 -0.169703D+02
      3  -0.118826D+02  0.404265D+01  0.000000D+00 -0.604422D+00  0.509098D+01
      4   0.138415D+01  0.289745D+01  0.000000D+00 -0.933536D+01  0.883762D+00
      5   0.000000D+00  0.000000D+00  0.444856D+00  0.000000D+00  0.000000D+00
      6   0.000000D+00  0.000000D+00 -0.294830D+00  0.000000D+00  0.000000D+00
                 6             7             8             9            10 
      1   0.000000D+00  0.000000D+00  0.000000D+00  0.344225D+02  0.439540D+01
      2   0.000000D+00  0.000000D+00  0.000000D+00 -0.427263D+01 -0.587151D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.301499D+02  0.147611D+01
      4   0.000000D+00  0.000000D+00  0.000000D+00  0.575547D+01  0.842324D-01
      5   0.404159D+00  0.142677D+01  0.548783D+01  0.000000D+00  0.204062D+01
      6  -0.239522D+02  0.106729D+02 -0.837185D+02  0.000000D+00 -0.504124D+01
                11            12            13            14            15 
      1  -0.617460D+00  0.203519D+01 -0.359538D+01  0.142459D+02  0.162545D+02
      2   0.474110D+01 -0.222646D+00  0.176612D+01 -0.672904D+01 -0.626114D+01
      3  -0.412364D+01 -0.181255D+01  0.182927D+01 -0.751683D+01 -0.999331D+01
      4  -0.260656D+01  0.100751D+01  0.835943D+01  0.229363D+01  0.381251D+01
      5  -0.641264D+01 -0.106350D+01  0.331688D+01  0.270058D+01  0.248646D+01
      6   0.434896D+01 -0.778013D+01  0.617182D+01 -0.455650D+02 -0.605576D+02
                16            17            18            19            20 
      1   0.174189D+01  0.339963D+02 -0.183558D+02  0.747141D+01  0.457178D+00
      2   0.437199D+01 -0.758831D+02 -0.364206D+02 -0.909376D+01  0.966846D+01
      3  -0.611388D+01  0.418868D+02  0.547765D+02  0.162235D+01 -0.101256D+02
      4   0.338698D+01  0.447371D+01 -0.554429D+01  0.298052D+01 -0.624855D+01
      5  -0.774532D+01  0.306612D+01 -0.638446D+01  0.598757D+00  0.715151D+01
      6  -0.609790D+01 -0.572245D+02  0.120380D+03 -0.158348D+02  0.181726D+01
                21            22            23            24            25 
      1   0.729138D+01 -0.110536D+02  0.674044D+02  0.107502D+03 -0.609704D+01
      2   0.128377D+01  0.120636D+02 -0.609988D+02 -0.105281D+03  0.902317D+01
      3  -0.857515D+01 -0.100999D+01 -0.640559D+01 -0.222117D+01 -0.292613D+01
      4  -0.644915D+01  0.747769D+01  0.146263D+02  0.205702D+02  0.124002D+01
      5   0.121768D+02  0.161925D+02  0.103681D+02  0.146772D+02  0.149018D+02
      6  -0.293907D+02  0.374260D+02 -0.266866D+03 -0.397493D+03  0.107941D+02
                26            27            28            29            30 
      1   0.976993D+01  0.243398D+02  0.747141D+01  0.457178D+00 -0.729138D+01
      2  -0.278186D+02 -0.587059D+02 -0.909376D+01  0.966846D+01 -0.128377D+01
      3   0.180487D+02  0.343662D+02  0.162235D+01 -0.101256D+02  0.857515D+01
      4   0.267484D+01  0.538269D+01  0.298052D+01 -0.624855D+01  0.644915D+01
      5  -0.773608D+01 -0.416820D+01 -0.598757D+00 -0.715151D+01  0.121768D+02
      6  -0.620519D+01 -0.117589D+03  0.158348D+02 -0.181726D+01 -0.293907D+02
                31            32            33            34            35 
      1  -0.110536D+02  0.674044D+02 -0.107502D+03  0.609704D+01 -0.976993D+01
      2   0.120636D+02 -0.609988D+02  0.105281D+03 -0.902317D+01  0.278186D+02
      3  -0.100999D+01 -0.640559D+01  0.222117D+01  0.292613D+01 -0.180487D+02
      4   0.747769D+01  0.146263D+02 -0.205702D+02 -0.124002D+01 -0.267484D+01
      5  -0.161925D+02 -0.103681D+02  0.146772D+02  0.149018D+02 -0.773608D+01
      6  -0.374260D+02  0.266866D+03 -0.397493D+03  0.107941D+02 -0.620519D+01
                36            37            38            39            40 
      1   0.243398D+02  0.439540D+01 -0.617460D+00 -0.203519D+01 -0.359538D+01
      2  -0.587059D+02 -0.587151D+01  0.474110D+01  0.222646D+00  0.176612D+01
      3   0.343662D+02  0.147611D+01 -0.412364D+01  0.181255D+01  0.182927D+01
      4   0.538269D+01  0.842324D-01 -0.260656D+01 -0.100751D+01  0.835943D+01
      5   0.416820D+01 -0.204062D+01  0.641264D+01 -0.106350D+01 -0.331688D+01
      6   0.117589D+03  0.504124D+01 -0.434896D+01 -0.778013D+01 -0.617182D+01
                41            42            43            44            45 
      1   0.142459D+02 -0.162545D+02 -0.174189D+01 -0.339963D+02 -0.183558D+02
      2  -0.672904D+01  0.626114D+01 -0.437199D+01  0.758831D+02 -0.364206D+02
      3  -0.751683D+01  0.999331D+01  0.611388D+01 -0.418868D+02  0.547765D+02
      4   0.229363D+01 -0.381251D+01 -0.338698D+01 -0.447371D+01 -0.554429D+01
      5  -0.270058D+01  0.248646D+01 -0.774532D+01  0.306612D+01  0.638446D+01
      6   0.455650D+02 -0.605576D+02 -0.609790D+01 -0.572245D+02 -0.120380D+03
                46            47            48            49            50 
      1   0.632519D+01  0.189317D+01 -0.814259D+01  0.219387D+01 -0.247875D+02
      2  -0.248775D+02 -0.903941D+01 -0.472879D+01 -0.118244D+02  0.101406D+03
      3   0.185524D+02  0.714623D+01  0.128714D+02  0.963055D+01 -0.766181D+02
      4  -0.517638D+00  0.627259D+01  0.260946D+02 -0.113869D+02 -0.515167D+01
      5  -0.541015D+01  0.887295D+01  0.563240D+02 -0.162233D+02 -0.123252D+01
      6   0.236646D+02 -0.212207D+01  0.169572D+02  0.698341D+01  0.429247D+02
                51            52            53            54            55 
      1   0.182393D+02 -0.574945D+00 -0.302784D+02  0.910986D+01  0.574997D+00
      2   0.985663D+02 -0.380578D+01  0.537609D+02  0.243796D+01 -0.170138D+01
      3  -0.116806D+03  0.438073D+01 -0.234825D+02 -0.115478D+02  0.112638D+01
      4   0.443206D+01  0.119880D+00 -0.306830D+01  0.556326D+01  0.375826D+00
      5   0.117326D+02  0.118950D+02 -0.347755D+01  0.636633D+01  0.587462D+00
      6  -0.164557D+03  0.422425D+01  0.441899D+02 -0.673576D+02 -0.499393D+01
                56            57            58            59            60 
      1   0.426630D+00  0.140633D+01  0.512395D-01 -0.192431D+01  0.464949D+01
      2  -0.393242D+00  0.184222D+01 -0.126244D+01 -0.131875D+02  0.205285D+02
      3  -0.333887D-01 -0.324854D+01  0.121120D+01  0.151118D+02 -0.251780D+02
      4  -0.514324D+00 -0.301896D+01  0.316495D+00  0.692273D+00 -0.100797D+01
      5  -0.323497D+01 -0.398445D+01 -0.400630D+01 -0.610852D+00  0.146137D+01
      6  -0.964851D+00 -0.957886D+00 -0.728500D+00 -0.612525D+01  0.346916D+01
                61            62            63            64            65 
      1   0.347672D+00  0.134433D+01 -0.185342D+02 -0.309404D+01 -0.558666D+01
      2   0.259006D+01  0.117619D+02 -0.420143D+02 -0.601928D+01  0.327966D+00
      3  -0.293773D+01 -0.131063D+02  0.605485D+02  0.911331D+01  0.525869D+01
      4   0.975601D+00 -0.584996D+00  0.245504D+00 -0.800223D+01  0.315106D+02
      5   0.732182D+01  0.460261D+00 -0.447296D+01 -0.881128D+01  0.292524D+02
      6  -0.868071D+00  0.765548D+01  0.605890D+01  0.475229D+02  0.524413D+01
                66            67            68            69            70 
      1  -0.782317D+01  0.458519D+00  0.107907D+02 -0.365270D+02 -0.578042D+01
      2   0.397712D+01  0.680976D+01 -0.767052D+02 -0.567802D+02 -0.409297D+01
      3   0.384605D+01 -0.726827D+01  0.659145D+02  0.933073D+02  0.987339D+01
      4   0.371729D+02  0.705992D+01  0.354619D+01 -0.530303D+01  0.295325D+02
      5   0.470878D+02  0.681995D+01  0.116783D+01 -0.864173D+01  0.279616D+02
      6   0.420005D+01 -0.886512D+01  0.825874D+01  0.201866D+03  0.875461D+01
                71            72            73            74            75 
      1  -0.256427D+02  0.119487D+02 -0.134810D+01  0.425839D+01  0.570509D+01
      2   0.103263D+03  0.350591D+02  0.415138D+00 -0.999282D+00 -0.465475D-01
      3  -0.776199D+02 -0.470078D+02  0.932964D+00 -0.325911D+01 -0.565854D+01
      4  -0.204344D+01  0.691065D+01 -0.994032D+00  0.733975D+00 -0.371683D+00
      5   0.280623D+01  0.973181D+01 -0.117412D+01  0.387890D+00  0.802417D-01
      6   0.467157D+02 -0.797663D+02 -0.276762D-01 -0.870066D+01 -0.111889D+02
                76            77            78            79            80 
      1   0.240203D+01 -0.315899D+02 -0.311712D+02  0.375433D+01 -0.372099D+02
      2  -0.148874D+01  0.207576D+02  0.160061D+02  0.120405D+01  0.398720D+01
      3  -0.913285D+00  0.108322D+02  0.151651D+02 -0.495838D+01  0.332227D+02
      4   0.561913D+01 -0.501890D+01 -0.484472D+01  0.709267D+01 -0.520410D+01
      5   0.460197D+01 -0.480379D+01 -0.491804D+01  0.957127D+01 -0.670362D+01
      6  -0.591056D+01  0.596621D+02  0.593190D+02 -0.944867D+01  0.718257D+02
                81            82            83            84            85 
      1  -0.579249D+02 -0.266262D+01 -0.555079D+01  0.370764D+01  0.180970D+01
      2  -0.122347D+02  0.345320D+02  0.750272D+01  0.749418D+00 -0.809667D+00
      3   0.701595D+02 -0.318694D+02 -0.195193D+01 -0.445705D+01 -0.100003D+01
      4  -0.754981D+01 -0.588434D+01  0.689040D+02  0.257727D+02  0.282017D+02
      5  -0.115580D+02 -0.300801D+00  0.245128D+02  0.738262D+01  0.100208D+02
      6   0.109050D+03  0.296059D+02 -0.248604D+01 -0.171659D+02 -0.102525D+02
                86            87            88            89            90 
      1  -0.279870D+02 -0.508385D+02  0.795182D+01 -0.796575D+01 -0.515107D+02
      2   0.334325D+02  0.447107D+02  0.938817D+00 -0.452982D+02  0.148046D+02
      3  -0.544554D+01  0.612774D+01 -0.889063D+01  0.532639D+02  0.367061D+02
      4  -0.226135D+01 -0.730345D+01 -0.182631D+02  0.130045D+01 -0.107293D+02
      5  -0.348700D+01 -0.707828D+01 -0.228067D+02 -0.293907D+01 -0.118582D+02
      6   0.108122D+03  0.152059D+03 -0.157356D+02  0.570004D+02  0.213451D+03
                91            92            93            94            95 
      1  -0.470986D+00  0.232578D+01  0.785059D+00  0.136364D+01 -0.561809D+02
      2   0.127948D+01 -0.490906D+01 -0.105668D+01 -0.569690D+01  0.146035D+03
      3  -0.808494D+00  0.258327D+01  0.271625D+00  0.433326D+01 -0.898546D+02
      4  -0.163963D+00 -0.169347D+01 -0.487553D+01  0.112324D+02 -0.843165D+01
      5   0.154479D+00 -0.152282D+01 -0.533276D+00  0.235305D+01 -0.298609D+00
      6  -0.347370D+01 -0.265243D+01 -0.117542D+01 -0.818341D+00  0.329674D+02
                96            97            98            99           100 
      1  -0.171632D+01 -0.220954D-01  0.791131D+01 -0.539169D+01  0.143880D+02
      2   0.532600D+01  0.837679D+00 -0.333490D+02  0.859710D+01  0.155608D+01
      3  -0.360967D+01 -0.815584D+00  0.254377D+02 -0.320541D+01 -0.159441D+02
      4   0.133966D-01 -0.238639D+01  0.454332D+00 -0.116781D+01  0.201523D+01
      5   0.785165D-02  0.884493D+00 -0.118021D+01 -0.387967D+00 -0.111686D+00
      6   0.183578D+01 -0.115736D+01  0.120524D+02  0.629956D+01 -0.123379D+02
               101           102           103           104           105 
      1  -0.611179D+01 -0.970295D+01 -0.192642D+01  0.312454D+02  0.370496D+02
      2   0.672338D+01  0.827288D+01  0.561244D+01 -0.499388D+02 -0.689439D+02
      3  -0.611585D+00  0.143007D+01 -0.368602D+01  0.186933D+02  0.318943D+02
      4   0.606885D+01 -0.130085D+02 -0.106925D+02  0.730396D+01  0.563970D+01
      5   0.206319D+01  0.257971D+01 -0.112802D+01  0.398488D+01  0.452103D+01
      6   0.150581D+02  0.299505D+02  0.874486D+01 -0.103438D+03 -0.950261D+02
               106           107           108           109           110 
      1  -0.735027D+01  0.392076D+02  0.514128D+02  0.131014D+02  0.907344D+00
      2   0.639367D+01 -0.383277D+02 -0.541483D+02  0.434206D+01 -0.286778D+01
      3   0.956602D+00 -0.879898D+00  0.273552D+01 -0.174435D+02  0.196043D+01
      4   0.715851D+01  0.782991D+01  0.101972D+02  0.341046D+01  0.103259D+02
      5   0.201322D+02  0.774138D+01  0.124553D+02  0.268126D+01 -0.634465D+01
      6   0.187928D+02 -0.141915D+03 -0.263913D+03 -0.157932D+02 -0.342270D+00
               111           112           113           114           115 
      1  -0.426407D+01  0.918596D+01 -0.595900D+02 -0.102630D+03  0.357128D+01
      2   0.204042D+01 -0.935495D+01  0.555597D+02  0.113594D+03 -0.253358D+01
      3   0.222364D+01  0.168983D+00  0.403028D+01 -0.109642D+02 -0.103770D+01
      4  -0.202965D+02 -0.505884D+01 -0.141980D+02 -0.167829D+02 -0.205378D+02
      5  -0.243039D+01 -0.127196D+02 -0.108925D+02 -0.180959D+02 -0.188759D+02
      6   0.944479D+01 -0.300844D+02  0.259998D+03  0.374072D+03 -0.686011D+01
               116           117           118           119           120 
      1  -0.234559D+02 -0.107406D+02 -0.121714D+01  0.147071D+01  0.320088D+01
      2   0.169256D+02  0.310671D+02  0.337828D+01  0.120494D+01 -0.227855D+01
      3   0.653031D+01 -0.203265D+02 -0.216115D+01 -0.267565D+01 -0.922331D+00
      4  -0.470236D+00 -0.265321D+01  0.530580D+00  0.744496D+01 -0.187216D+01
      5  -0.459848D+01 -0.596928D+01 -0.388389D+00 -0.162549D+01  0.298049D+01
      6   0.599733D+02  0.140165D+03 -0.218056D+01 -0.475942D+01 -0.666255D+01
               121           122           123           124           125 
      1  -0.340218D+00 -0.130807D+02  0.104258D+02  0.524409D+00  0.438134D+01
      2   0.157366D+01  0.397681D+02 -0.275274D+02 -0.808781D+00 -0.146991D+02
      3  -0.123345D+01 -0.266874D+02  0.171016D+02  0.284372D+00  0.103177D+02
      4   0.775936D+01  0.308747D+01 -0.132452D+01 -0.362497D+01 -0.200736D+01
      5  -0.260422D+01  0.402136D+00 -0.410751D+00  0.206561D+01 -0.564098D+00
      6  -0.639953D+00 -0.355894D+02  0.295473D+02 -0.840203D+00  0.339099D+02
               126           127           128           129           130 
      1  -0.147893D+02 -0.201975D+02  0.142652D+02  0.378807D+02  0.561979D+01
      2   0.157440D+02  0.187302D+02 -0.256622D+02 -0.379791D+02 -0.494923D+01
      3  -0.954779D+00  0.146724D+01  0.113969D+02  0.983131D-01 -0.670564D+00
      4   0.610644D+00 -0.102283D+02  0.712188D+01  0.806546D+01  0.183989D+01
      5  -0.590662D+00  0.316016D+02 -0.168975D+02 -0.167870D+02 -0.104313D+02
      6  -0.111610D+02  0.137840D+02 -0.236197D+02 -0.252850D+02 -0.116099D+02
               131           132           133           134           135 
      1   0.483362D+00 -0.225987D+02  0.982207D+01 -0.170158D+02 -0.187119D+02
      2   0.714696D+01  0.126042D+02 -0.834794D+01  0.868673D+01  0.507929D+02
      3  -0.763032D+01  0.999441D+01 -0.147413D+01  0.832911D+01 -0.320810D+02
      4  -0.454559D+00 -0.725787D+01 -0.842390D+00 -0.483399D+01 -0.578637D+01
      5  -0.907905D+00  0.629953D+01 -0.107962D+02  0.758311D+01  0.253030D+01
      6   0.779643D+01  0.274469D+02 -0.160443D+02  0.316478D+02  0.114552D+03
               136           137           138           139           140 
      1   0.396338D+02 -0.128282D+02 -0.230771D+02 -0.316370D+01  0.520147D+01
      2  -0.261933D+02  0.161454D+02  0.353908D+02  0.271700D+01 -0.335465D+01
      3  -0.134405D+02 -0.331716D+01 -0.123137D+02  0.446706D+00 -0.184682D+01
      4   0.967288D+01  0.358304D-01 -0.752265D+01  0.516759D+01 -0.359500D-02
      5  -0.311921D+02  0.902521D+01  0.234280D+02  0.328749D+01 -0.413282D+01
      6  -0.141975D+02  0.328443D+01  0.401525D+02 -0.203712D+01 -0.218949D+01
               141           142           143           144           145 
      1   0.417182D+01  0.870623D+00 -0.634584D+00  0.590348D+01 -0.764154D+01
      2  -0.134611D+01  0.521761D+01  0.156312D+01 -0.130872D+02 -0.597063D+01
      3  -0.282571D+01 -0.608824D+01 -0.928532D+00  0.718370D+01  0.136122D+02
      4  -0.204372D+01  0.808987D-02  0.584244D+00  0.274533D+01  0.187502D+02
      5  -0.181691D+01  0.787193D+01 -0.174300D+01 -0.709067D+01 -0.408544D+02
      6   0.697679D+01  0.403514D+01 -0.389607D+01 -0.270826D+02  0.139261D+02
               146           147           148           149           150 
      1   0.373152D+01 -0.130989D+02  0.439915D+01  0.592384D+01  0.102062D+02
      2  -0.677643D+01 -0.388957D+01 -0.960431D+01 -0.185094D+02  0.322823D+02
      3   0.304492D+01  0.169885D+02  0.520516D+01  0.125856D+02 -0.424885D+02
      4  -0.881915D+01  0.271110D+01 -0.579421D+01 -0.123283D+02  0.135574D+01
      5   0.133884D+02 -0.113686D+01  0.107516D+02  0.144749D+02 -0.169255D+01
      6   0.125245D+02 -0.348059D+00  0.107704D+02  0.404909D+02  0.148357D+01
               151           152           153           154           155 
      1  -0.297404D+01  0.100527D+02 -0.276804D+01  0.112260D+01 -0.257021D+01
      2  -0.469523D+01  0.153607D+02 -0.306468D+01  0.541760D+01  0.993927D+01
      3   0.766927D+01 -0.254134D+02  0.583272D+01 -0.654020D+01 -0.736906D+01
      4  -0.457363D+00  0.835963D+00 -0.491956D+01  0.582111D+01  0.120097D+02
      5   0.288862D+01 -0.170341D+01  0.124950D+02 -0.441910D+01 -0.122513D+02
      6  -0.275840D+01  0.253609D+01 -0.441054D+02 -0.125096D+02 -0.171297D+02
               156           157           158           159           160 
      1   0.553729D+01 -0.294723D+01 -0.162698D+02  0.908935D+01  0.247801D+01
      2   0.382304D+01  0.814818D+01  0.391350D+02 -0.395597D+01  0.250379D+01
      3  -0.936033D+01 -0.520096D+01 -0.228652D+02 -0.513338D+01 -0.498180D+01
      4  -0.392291D+01  0.906594D+01  0.121918D+02 -0.321190D+01 -0.708047D+00
      5   0.539850D+01 -0.860019D+01 -0.119115D+02  0.368415D+01  0.204979D+01
      6   0.826285D+01 -0.114533D+02 -0.554703D+02  0.200450D+02  0.343017D+01
               161           162           163           164           165 
      1   0.497977D+01 -0.524673D+01  0.212796D+02 -0.328925D+01 -0.346634D+01
      2   0.174063D+01  0.414745D+01 -0.523754D+01 -0.282909D+01 -0.102769D+02
      3  -0.672040D+01  0.109928D+01 -0.160421D+02  0.611834D+01  0.137433D+02
      4  -0.919991D+00  0.420630D+01 -0.249413D+02  0.109179D+02 -0.560402D+01
      5   0.174409D+01 -0.656996D+01  0.443326D+02 -0.124230D+02  0.133516D+02
      6   0.124894D+02 -0.616725D+01 -0.164818D+02  0.111140D+02 -0.118038D+02
               166           167           168           169           170 
      1  -0.132641D+01  0.158247D+01 -0.643577D+00 -0.362868D+01 -0.887873D+00
      2  -0.212511D+01  0.424674D+01 -0.526444D+01 -0.412420D+01  0.496683D+00
      3   0.345152D+01 -0.582921D+01  0.590801D+01  0.775288D+01  0.391190D+00
      4   0.744983D+01 -0.464420D+01  0.224312D+01  0.308373D+00 -0.181764D+00
      5  -0.580184D+01  0.696822D+01 -0.305137D+01  0.494114D+01 -0.891369D+00
      6   0.714347D+01 -0.906897D+01  0.289183D+01 -0.337657D+01  0.137095D+01
               171           172           173           174           175 
      1   0.168851D+01 -0.785193D+01 -0.656417D+01  0.239363D+02 -0.303716D+01
      2  -0.159645D+01  0.167027D+02 -0.141027D+01  0.167368D+02 -0.324334D+00
      3  -0.920644D-01 -0.885081D+01  0.797444D+01 -0.406731D+02  0.336149D+01
      4  -0.398127D+01 -0.911635D+01  0.219501D+00  0.383451D+01  0.693365D-01
      5   0.787878D+01  0.645069D+02  0.418008D+01 -0.182872D+02 -0.241803D+01
      6   0.448976D+01  0.536618D+01 -0.184325D+02  0.157393D+02 -0.161142D+02
               176           177           178           179           180 
      1   0.505059D+01 -0.328595D+02  0.109988D+02 -0.247857D+02  0.237272D+02
      2   0.389280D+01 -0.391790D+02  0.108030D+02 -0.299517D+02  0.103701D+02
      3  -0.894338D+01  0.720386D+02 -0.218018D+02  0.547375D+02 -0.340973D+02
      4   0.353351D+01 -0.291299D+01  0.113370D+01 -0.111672D+01  0.526873D+01
      5  -0.171888D+02  0.564033D+01 -0.749251D+01  0.382076D+01 -0.256230D+02
      6  -0.146335D+02 -0.205625D+02  0.746762D+01 -0.165023D+02  0.604877D+02
               181           182           183           184           185 
      1   0.196674D+02  0.187430D+01  0.141712D+01 -0.256279D+00  0.114365D+01
      2  -0.270457D+02  0.591590D+00  0.203160D+02  0.161173D+01 -0.248688D+01
      3   0.737828D+01 -0.246589D+01 -0.217331D+02 -0.135545D+01  0.134323D+01
      4   0.124207D+02  0.532234D+01 -0.549237D+01  0.601928D+01  0.173476D+01
      5  -0.758502D+02 -0.837753D+01  0.352125D+02  0.135138D+01 -0.813895D+01
      6  -0.944696D+01 -0.117052D+02  0.451424D+01 -0.830679D+01  0.840144D+00
               186           187           188           189           190 
      1   0.397870D+01  0.363290D+01  0.388592D+01 -0.287941D+01 -0.562466D+01
      2   0.251133D+01  0.854305D+01  0.408471D+01 -0.965717D+01 -0.107174D+02
      3  -0.649003D+01 -0.121759D+02 -0.797063D+01  0.125366D+02  0.163421D+02
      4  -0.184068D+01 -0.478894D+00 -0.408250D+00  0.148809D+01 -0.183950D+01
      5   0.228102D-01  0.119175D+02  0.497858D+00 -0.154387D+02  0.464576D+01
      6   0.850288D+01  0.197805D+01  0.437641D+01 -0.896572D+01 -0.107793D+02
               191           192           193           194           195 
      1   0.513663D+01 -0.162102D+02  0.284433D+01 -0.188418D+02  0.290982D+02
      2   0.314570D+01 -0.187063D+02  0.864386D+00 -0.850413D+01  0.220713D+02
      3  -0.828233D+01  0.349166D+02 -0.370872D+01  0.273460D+02 -0.511695D+02
      4   0.340590D+01 -0.580765D+01  0.308947D+01 -0.189333D+01  0.163898D+01
      5  -0.908424D+01  0.246918D+02 -0.621116D+01  0.776990D+01 -0.502992D+01
      6   0.130247D+02 -0.173158D+02  0.807966D+01 -0.322912D+02  0.473514D+02
               196           197           198           199           200 
      1  -0.730946D+01  0.214723D+02 -0.629508D+02 -0.785193D+01 -0.656417D+01
      2  -0.723132D+01  0.182000D+02 -0.644172D+02  0.167027D+02 -0.141027D+01
      3   0.145408D+02 -0.396724D+02  0.127368D+03 -0.885081D+01  0.797444D+01
      4  -0.280561D+01  0.113819D+01 -0.316455D+01 -0.911635D+01  0.219501D+00
      5   0.137280D+02 -0.386062D+01  0.166023D+02 -0.645069D+02 -0.418008D+01
      6  -0.655969D+01  0.337196D+02 -0.658521D+02 -0.536618D+01  0.184325D+02
               201           202           203           204           205 
      1  -0.239363D+02 -0.303716D+01  0.505059D+01  0.328595D+02 -0.109988D+02
      2  -0.167368D+02 -0.324334D+00  0.389280D+01  0.391790D+02 -0.108030D+02
      3   0.406731D+02  0.336149D+01 -0.894338D+01 -0.720386D+02  0.218018D+02
      4  -0.383451D+01  0.693365D-01  0.353351D+01  0.291299D+01 -0.113370D+01
      5  -0.182872D+02  0.241803D+01  0.171888D+02  0.564033D+01 -0.749251D+01
      6   0.157393D+02  0.161142D+02  0.146335D+02 -0.205625D+02  0.746762D+01
               206           207           208           209           210 
      1   0.247857D+02  0.237272D+02 -0.562466D+01  0.513663D+01  0.162102D+02
      2   0.299517D+02  0.103701D+02 -0.107174D+02  0.314570D+01  0.187063D+02
      3  -0.547375D+02 -0.340973D+02  0.163421D+02 -0.828233D+01 -0.349166D+02
      4   0.111672D+01  0.526873D+01 -0.183950D+01  0.340590D+01  0.580765D+01
      5   0.382076D+01  0.256230D+02 -0.464576D+01  0.908424D+01  0.246918D+02
      6  -0.165023D+02 -0.604877D+02  0.107793D+02 -0.130247D+02 -0.173158D+02
               211           212           213           214           215 
      1   0.284433D+01 -0.188418D+02 -0.290982D+02  0.730946D+01 -0.214723D+02
      2   0.864386D+00 -0.850413D+01 -0.220713D+02  0.723132D+01 -0.182000D+02
      3  -0.370872D+01  0.273460D+02  0.511695D+02 -0.145408D+02  0.396724D+02
      4   0.308947D+01 -0.189333D+01 -0.163898D+01  0.280561D+01 -0.113819D+01
      5   0.621116D+01 -0.776990D+01 -0.502992D+01  0.137280D+02 -0.386062D+01
      6  -0.807966D+01  0.322912D+02  0.473514D+02 -0.655969D+01  0.337196D+02
               216           217           218           219           220 
      1  -0.629508D+02  0.196674D+02  0.187430D+01 -0.141712D+01 -0.256279D+00
      2  -0.644172D+02 -0.270457D+02  0.591590D+00 -0.203160D+02  0.161173D+01
      3   0.127368D+03  0.737828D+01 -0.246589D+01  0.217331D+02 -0.135545D+01
      4  -0.316455D+01  0.124207D+02  0.532234D+01  0.549237D+01  0.601928D+01
      5  -0.166023D+02  0.758502D+02  0.837753D+01  0.352125D+02 -0.135138D+01
      6   0.658521D+02  0.944696D+01  0.117052D+02  0.451424D+01  0.830679D+01
               221           222           223           224           225 
      1   0.114365D+01 -0.397870D+01 -0.363290D+01 -0.388592D+01 -0.287941D+01
      2  -0.248688D+01 -0.251133D+01 -0.854305D+01 -0.408471D+01 -0.965717D+01
      3   0.134323D+01  0.649003D+01  0.121759D+02  0.797063D+01  0.125366D+02
      4   0.173476D+01  0.184068D+01  0.478894D+00  0.408250D+00  0.148809D+01
      5   0.813895D+01  0.228102D-01  0.119175D+02  0.497858D+00  0.154387D+02
      6  -0.840144D+00  0.850288D+01  0.197805D+01  0.437641D+01  0.896572D+01
               226           227           228           229           230 
      1  -0.764154D+01  0.373152D+01  0.130989D+02  0.439915D+01  0.592384D+01
      2  -0.597063D+01 -0.677643D+01  0.388957D+01 -0.960431D+01 -0.185094D+02
      3   0.136122D+02  0.304492D+01 -0.169885D+02  0.520516D+01  0.125856D+02
      4   0.187502D+02 -0.881915D+01 -0.271110D+01 -0.579421D+01 -0.123283D+02
      5   0.408544D+02 -0.133884D+02 -0.113686D+01 -0.107516D+02 -0.144749D+02
      6  -0.139261D+02 -0.125245D+02 -0.348059D+00 -0.107704D+02 -0.404909D+02
               231           232           233           234           235 
      1  -0.102062D+02  0.297404D+01 -0.100527D+02 -0.276804D+01  0.212796D+02
      2  -0.322823D+02  0.469523D+01 -0.153607D+02 -0.306468D+01 -0.523754D+01
      3   0.424885D+02 -0.766927D+01  0.254134D+02  0.583272D+01 -0.160421D+02
      4  -0.135574D+01  0.457363D+00 -0.835963D+00 -0.491956D+01 -0.249413D+02
      5  -0.169255D+01  0.288862D+01 -0.170341D+01 -0.124950D+02 -0.443326D+02
      6   0.148357D+01 -0.275840D+01  0.253609D+01  0.441054D+02  0.164818D+02
               236           237           238           239           240 
      1  -0.328925D+01  0.346634D+01 -0.132641D+01  0.158247D+01  0.643577D+00
      2  -0.282909D+01  0.102769D+02 -0.212511D+01  0.424674D+01  0.526444D+01
      3   0.611834D+01 -0.137433D+02  0.345152D+01 -0.582921D+01 -0.590801D+01
      4   0.109179D+02  0.560402D+01  0.744983D+01 -0.464420D+01 -0.224312D+01
      5   0.124230D+02  0.133516D+02  0.580184D+01 -0.696822D+01 -0.305137D+01
      6  -0.111140D+02 -0.118038D+02 -0.714347D+01  0.906897D+01  0.289183D+01
               241           242           243           244           245 
      1   0.362868D+01  0.887873D+00  0.168851D+01  0.112260D+01 -0.257021D+01
      2   0.412420D+01 -0.496683D+00 -0.159645D+01  0.541760D+01  0.993927D+01
      3  -0.775288D+01 -0.391190D+00 -0.920644D-01 -0.654020D+01 -0.736906D+01
      4  -0.308373D+00  0.181764D+00 -0.398127D+01  0.582111D+01  0.120097D+02
      5   0.494114D+01 -0.891369D+00 -0.787878D+01  0.441910D+01  0.122513D+02
      6  -0.337657D+01  0.137095D+01 -0.448976D+01  0.125096D+02  0.171297D+02
               246           247           248           249           250 
      1  -0.553729D+01 -0.294723D+01 -0.162698D+02 -0.908935D+01 -0.247801D+01
      2  -0.382304D+01  0.814818D+01  0.391350D+02  0.395597D+01 -0.250379D+01
      3   0.936033D+01 -0.520096D+01 -0.228652D+02  0.513338D+01  0.498180D+01
      4   0.392291D+01  0.906594D+01  0.121918D+02  0.321190D+01  0.708047D+00
      5   0.539850D+01  0.860019D+01  0.119115D+02  0.368415D+01  0.204979D+01
      6   0.826285D+01  0.114533D+02  0.554703D+02  0.200450D+02  0.343017D+01
               251           252           253           254           255 
      1  -0.497977D+01 -0.524673D+01 -0.201975D+02  0.142652D+02 -0.378807D+02
      2  -0.174063D+01  0.414745D+01  0.187302D+02 -0.256622D+02  0.379791D+02
      3   0.672040D+01  0.109928D+01  0.146724D+01  0.113969D+02 -0.983132D-01
      4   0.919991D+00  0.420630D+01 -0.102283D+02  0.712188D+01 -0.806546D+01
      5   0.174409D+01  0.656996D+01 -0.316016D+02  0.168975D+02 -0.167870D+02
      6   0.124894D+02  0.616725D+01 -0.137840D+02  0.236197D+02 -0.252850D+02
               256           257           258           259           260 
      1   0.561979D+01  0.483362D+00  0.225987D+02 -0.982207D+01  0.170158D+02
      2  -0.494923D+01  0.714696D+01 -0.126042D+02  0.834794D+01 -0.868673D+01
      3  -0.670564D+00 -0.763032D+01 -0.999441D+01  0.147413D+01 -0.832911D+01
      4   0.183989D+01 -0.454559D+00  0.725787D+01  0.842390D+00  0.483399D+01
      5   0.104313D+02  0.907905D+00  0.629953D+01 -0.107962D+02  0.758311D+01
      6   0.116099D+02 -0.779643D+01  0.274469D+02 -0.160443D+02  0.316478D+02
               261           262           263           264           265 
      1  -0.187119D+02  0.396338D+02 -0.128282D+02  0.230771D+02 -0.316370D+01
      2   0.507929D+02 -0.261933D+02  0.161454D+02 -0.353908D+02  0.271700D+01
      3  -0.320810D+02 -0.134405D+02 -0.331716D+01  0.123137D+02  0.446706D+00
      4  -0.578637D+01  0.967288D+01  0.358304D-01  0.752265D+01  0.516759D+01
      5  -0.253030D+01  0.311921D+02 -0.902521D+01  0.234280D+02 -0.328749D+01
      6  -0.114552D+03  0.141975D+02 -0.328443D+01  0.401525D+02  0.203712D+01
               266           267           268           269           270 
      1   0.520147D+01 -0.417182D+01 -0.870623D+00  0.634584D+00  0.590348D+01
      2  -0.335465D+01  0.134611D+01 -0.521761D+01 -0.156312D+01 -0.130872D+02
      3  -0.184682D+01  0.282571D+01  0.608824D+01  0.928532D+00  0.718370D+01
      4  -0.359500D-02  0.204372D+01 -0.808989D-02 -0.584244D+00  0.274533D+01
      5   0.413282D+01 -0.181691D+01  0.787193D+01 -0.174300D+01  0.709067D+01
      6   0.218949D+01  0.697679D+01  0.403514D+01 -0.389607D+01  0.270826D+02
               271           272           273           274           275 
      1   0.131014D+02  0.907344D+00  0.426406D+01  0.918596D+01 -0.595900D+02
      2   0.434206D+01 -0.286778D+01 -0.204042D+01 -0.935495D+01  0.555597D+02
      3  -0.174435D+02  0.196043D+01 -0.222364D+01  0.168983D+00  0.403028D+01
      4   0.341046D+01  0.103259D+02  0.202965D+02 -0.505884D+01 -0.141980D+02
      5  -0.268126D+01  0.634465D+01 -0.243039D+01  0.127196D+02  0.108925D+02
      6   0.157932D+02  0.342270D+00  0.944479D+01  0.300844D+02 -0.259998D+03
               276           277           278           279           280 
      1   0.102630D+03 -0.357128D+01  0.234559D+02 -0.107406D+02 -0.121714D+01
      2  -0.113594D+03  0.253358D+01 -0.169256D+02  0.310671D+02  0.337828D+01
      3   0.109642D+02  0.103770D+01 -0.653031D+01 -0.203265D+02 -0.216115D+01
      4   0.167829D+02  0.205378D+02  0.470236D+00 -0.265321D+01  0.530580D+00
      5  -0.180959D+02 -0.188759D+02 -0.459848D+01  0.596928D+01  0.388389D+00
      6   0.374072D+03 -0.686011D+01  0.599733D+02 -0.140165D+03  0.218056D+01
               281           282           283           284           285 
      1   0.147071D+01 -0.320088D+01 -0.340218D+00 -0.130807D+02 -0.104258D+02
      2   0.120494D+01  0.227855D+01  0.157366D+01  0.397681D+02  0.275274D+02
      3  -0.267565D+01  0.922331D+00 -0.123345D+01 -0.266874D+02 -0.171016D+02
      4   0.744496D+01  0.187216D+01  0.775936D+01  0.308747D+01  0.132452D+01
      5   0.162549D+01  0.298049D+01  0.260422D+01 -0.402136D+00 -0.410751D+00
      6   0.475942D+01 -0.666255D+01  0.639953D+00  0.355894D+02  0.295473D+02
               286           287           288           289           290 
      1  -0.524409D+00 -0.438134D+01 -0.147893D+02  0.143880D+02 -0.611179D+01
      2   0.808781D+00  0.146991D+02  0.157440D+02  0.155608D+01  0.672338D+01
      3  -0.284372D+00 -0.103177D+02 -0.954779D+00 -0.159441D+02 -0.611585D+00
      4   0.362497D+01  0.200736D+01  0.610644D+00  0.201523D+01  0.606885D+01
      5   0.206561D+01 -0.564098D+00  0.590662D+00  0.111686D+00 -0.206319D+01
      6  -0.840203D+00  0.339099D+02  0.111610D+02  0.123379D+02 -0.150581D+02
               291           292           293           294           295 
      1   0.970295D+01 -0.192642D+01  0.312454D+02 -0.370496D+02  0.735027D+01
      2  -0.827288D+01  0.561244D+01 -0.499388D+02  0.689439D+02 -0.639367D+01
      3  -0.143007D+01 -0.368602D+01  0.186933D+02 -0.318943D+02 -0.956602D+00
      4   0.130085D+02 -0.106925D+02  0.730396D+01 -0.563970D+01 -0.715851D+01
      5   0.257971D+01  0.112802D+01 -0.398488D+01  0.452103D+01  0.201322D+02
      6   0.299505D+02 -0.874486D+01  0.103438D+03 -0.950261D+02  0.187928D+02
               296           297           298           299           300 
      1  -0.392076D+02  0.514128D+02 -0.266263D+01 -0.555079D+01 -0.370764D+01
      2   0.383277D+02 -0.541483D+02  0.345320D+02  0.750272D+01 -0.749418D+00
      3   0.879898D+00  0.273552D+01 -0.318694D+02 -0.195193D+01  0.445705D+01
      4  -0.782991D+01  0.101972D+02 -0.588434D+01  0.689040D+02 -0.257727D+02
      5   0.774138D+01 -0.124553D+02  0.300801D+00 -0.245128D+02  0.738262D+01
      6  -0.141915D+03  0.263913D+03 -0.296059D+02  0.248604D+01 -0.171659D+02
               301           302           303           304           305 
      1   0.180970D+01 -0.279870D+02  0.508385D+02 -0.795182D+01  0.796575D+01
      2  -0.809667D+00  0.334325D+02 -0.447107D+02 -0.938817D+00  0.452982D+02
      3  -0.100003D+01 -0.544554D+01 -0.612774D+01  0.889063D+01 -0.532639D+02
      4   0.282017D+02 -0.226135D+01  0.730345D+01  0.182631D+02 -0.130045D+01
      5  -0.100208D+02  0.348700D+01 -0.707828D+01 -0.228067D+02 -0.293907D+01
      6   0.102525D+02 -0.108122D+03  0.152059D+03 -0.157356D+02  0.570004D+02
               306           307           308           309           310 
      1  -0.515107D+02 -0.470986D+00  0.232578D+01 -0.785059D+00  0.136364D+01
      2   0.148046D+02  0.127948D+01 -0.490906D+01  0.105668D+01 -0.569690D+01
      3   0.367061D+02 -0.808494D+00  0.258327D+01 -0.271625D+00  0.433326D+01
      4  -0.107293D+02 -0.163963D+00 -0.169347D+01  0.487553D+01  0.112324D+02
      5   0.118582D+02 -0.154479D+00  0.152282D+01 -0.533276D+00 -0.235305D+01
      6  -0.213451D+03  0.347370D+01  0.265243D+01 -0.117542D+01  0.818341D+00
               311           312           313           314           315 
      1  -0.561809D+02  0.171632D+01  0.220954D-01 -0.791131D+01 -0.539169D+01
      2   0.146035D+03 -0.532600D+01 -0.837679D+00  0.333490D+02  0.859710D+01
      3  -0.898546D+02  0.360967D+01  0.815584D+00 -0.254377D+02 -0.320541D+01
      4  -0.843165D+01 -0.133966D-01  0.238639D+01 -0.454332D+00 -0.116781D+01
      5   0.298609D+00  0.785164D-02  0.884493D+00 -0.118021D+01  0.387967D+00
      6  -0.329674D+02  0.183578D+01 -0.115736D+01  0.120524D+02 -0.629956D+01
               316           317           318           319           320 
      1  -0.309404D+01 -0.558666D+01  0.782317D+01  0.458519D+00  0.107907D+02
      2  -0.601928D+01  0.327967D+00 -0.397712D+01  0.680976D+01 -0.767052D+02
      3   0.911331D+01  0.525869D+01 -0.384605D+01 -0.726827D+01  0.659145D+02
      4  -0.800223D+01  0.315106D+02 -0.371729D+02  0.705992D+01  0.354619D+01
      5   0.881128D+01 -0.292524D+02  0.470878D+02 -0.681995D+01 -0.116783D+01
      6  -0.475229D+02 -0.524413D+01  0.420005D+01  0.886512D+01 -0.825874D+01
               321           322           323           324           325 
      1   0.365270D+02  0.578042D+01  0.256427D+02  0.119487D+02 -0.134810D+01
      2   0.567802D+02  0.409297D+01 -0.103263D+03  0.350591D+02  0.415137D+00
      3  -0.933073D+02 -0.987339D+01  0.776199D+02 -0.470078D+02  0.932964D+00
      4   0.530303D+01 -0.295325D+02  0.204344D+01  0.691065D+01 -0.994032D+00
      5  -0.864173D+01  0.279616D+02  0.280623D+01 -0.973181D+01  0.117412D+01
      6   0.201866D+03  0.875461D+01  0.467157D+02  0.797663D+02  0.276762D-01
               326           327           328           329           330 
      1   0.425839D+01 -0.570509D+01  0.240203D+01 -0.315899D+02  0.311712D+02
      2  -0.999282D+00  0.465474D-01 -0.148874D+01  0.207576D+02 -0.160061D+02
      3  -0.325911D+01  0.565854D+01 -0.913285D+00  0.108322D+02 -0.151651D+02
      4   0.733975D+00  0.371683D+00  0.561913D+01 -0.501890D+01  0.484472D+01
      5  -0.387890D+00  0.802417D-01 -0.460197D+01  0.480379D+01 -0.491804D+01
      6   0.870066D+01 -0.111889D+02  0.591056D+01 -0.596621D+02  0.593190D+02
               331           332           333           334           335 
      1  -0.375433D+01  0.372099D+02 -0.579249D+02  0.632519D+01  0.189317D+01
      2  -0.120405D+01 -0.398720D+01 -0.122347D+02 -0.248775D+02 -0.903941D+01
      3   0.495838D+01 -0.332227D+02  0.701595D+02  0.185524D+02  0.714623D+01
      4  -0.709267D+01  0.520410D+01 -0.754981D+01 -0.517638D+00  0.627259D+01
      5   0.957127D+01 -0.670362D+01  0.115580D+02  0.541015D+01 -0.887295D+01
      6  -0.944867D+01  0.718257D+02 -0.109050D+03 -0.236646D+02  0.212207D+01
               336           337           338           339           340 
      1   0.814259D+01  0.219387D+01 -0.247875D+02 -0.182393D+02  0.574945D+00
      2   0.472879D+01 -0.118244D+02  0.101406D+03 -0.985663D+02  0.380578D+01
      3  -0.128714D+02  0.963055D+01 -0.766181D+02  0.116806D+03 -0.438073D+01
      4  -0.260946D+02 -0.113869D+02 -0.515167D+01 -0.443206D+01 -0.119880D+00
      5   0.563240D+02  0.162233D+02  0.123252D+01  0.117326D+02  0.118950D+02
      6   0.169572D+02 -0.698341D+01 -0.429247D+02 -0.164557D+03  0.422425D+01
               341           342           343           344           345 
      1   0.302784D+02  0.910986D+01  0.574997D+00  0.426630D+00 -0.140633D+01
      2  -0.537609D+02  0.243796D+01 -0.170138D+01 -0.393242D+00 -0.184222D+01
      3   0.234825D+02 -0.115478D+02  0.112638D+01 -0.333887D-01  0.324854D+01
      4   0.306830D+01  0.556326D+01  0.375827D+00 -0.514324D+00  0.301896D+01
      5  -0.347755D+01 -0.636633D+01 -0.587462D+00  0.323497D+01 -0.398445D+01
      6   0.441899D+02  0.673576D+02  0.499393D+01  0.964851D+00 -0.957886D+00
               346           347           348           349           350 
      1   0.512395D-01 -0.192431D+01 -0.464949D+01 -0.347672D+00 -0.134433D+01
      2  -0.126244D+01 -0.131875D+02 -0.205285D+02 -0.259006D+01 -0.117619D+02
      3   0.121120D+01  0.151118D+02  0.251780D+02  0.293773D+01  0.131063D+02
      4   0.316495D+00  0.692273D+00  0.100797D+01 -0.975601D+00  0.584996D+00
      5   0.400630D+01  0.610852D+00  0.146137D+01  0.732182D+01  0.460261D+00
      6   0.728500D+00  0.612525D+01  0.346916D+01 -0.868071D+00  0.765548D+01
               351 
      1  -0.185342D+02
      2  -0.420143D+02
      3   0.605485D+02
      4   0.245504D+00
      5   0.447296D+01
      6  -0.605890D+01
 Leave Link  716 at Mon Sep  6 15:01:43 2021, MaxMem=  8589934592 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.142255D+03 -0.986754D+01  0.000000D+00
      2  -0.986754D+01  0.303721D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.373387D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.380719D+02 -0.117241D+03  0.000000D+00
      2   0.405689D+02  0.213911D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.253684D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.227650D+03
      2   0.000000D+00  0.000000D+00  0.261884D+03
      3   0.000000D+00  0.000000D+00 -0.342344D+02
      4   0.000000D+00  0.000000D+00 -0.643948D+02
      5  -0.889268D+02 -0.404392D+02  0.000000D+00
      6  -0.829044D+02  0.527485D+03  0.000000D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.102335D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.000000D+00 -0.390349D+00  0.000000D+00  0.000000D+00
      3  -0.102335D+01 -0.390349D+00  0.000000D+00  0.159178D+00 -0.744398D+00
                 6             7             8             9            10 
      1   0.159178D+00 -0.135251D+00  0.141510D+01  0.000000D+00  0.217886D+00
      2  -0.744398D+00  0.141510D+01 -0.128839D+02  0.000000D+00 -0.141079D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.163124D+02  0.521330D+00
                11            12            13            14            15 
      1  -0.141079D+01  0.521330D+00 -0.375888D+00  0.621875D+00  0.125146D+01
      2   0.120878D+01 -0.369599D+00  0.621875D+00 -0.824770D+01 -0.369052D+01
      3  -0.369599D+00 -0.132464D+01  0.125146D+01 -0.369052D+01 -0.149239D+02
                16            17            18            19            20 
      1  -0.597623D+00  0.395063D+00 -0.193310D+01  0.766939D+00 -0.339936D+01
      2   0.395063D+00 -0.184528D+02  0.282888D+01 -0.339936D+01  0.169123D+01
      3  -0.193310D+01  0.282888D+01  0.238595D+02 -0.278790D+01  0.562331D+00
                21            22            23            24            25 
      1  -0.278790D+01 -0.174301D+01  0.509627D+01  0.764999D+01 -0.831734D+00
      2   0.562331D+00  0.509627D+01 -0.414909D+02 -0.529946D+02  0.184126D+01
      3  -0.399769D+01  0.764999D+01 -0.529946D+02 -0.737638D+02  0.372266D+01
                26            27            28            29            30 
      1   0.184126D+01  0.372266D+01 -0.766939D+00  0.339936D+01 -0.278790D+01
      2  -0.126352D+01 -0.124349D+02  0.339936D+01 -0.169123D+01  0.562331D+00
      3  -0.124349D+02 -0.242325D+02 -0.278790D+01  0.562331D+00  0.399769D+01
                31            32            33            34            35 
      1   0.174301D+01 -0.509627D+01  0.764999D+01 -0.831734D+00  0.184126D+01
      2  -0.509627D+01  0.414909D+02 -0.529946D+02  0.184126D+01 -0.126352D+01
      3   0.764999D+01 -0.529946D+02  0.737638D+02 -0.372266D+01  0.124349D+02
                36            37            38            39            40 
      1  -0.372266D+01 -0.217886D+00  0.141079D+01  0.521330D+00  0.375888D+00
      2   0.124349D+02  0.141079D+01 -0.120878D+01 -0.369599D+00 -0.621875D+00
      3  -0.242325D+02  0.521330D+00 -0.369599D+00  0.132464D+01  0.125146D+01
                41            42            43            44            45 
      1  -0.621875D+00  0.125146D+01 -0.597623D+00  0.395063D+00  0.193310D+01
      2   0.824770D+01 -0.369052D+01  0.395063D+00 -0.184528D+02 -0.282888D+01
      3  -0.369052D+01  0.149239D+02  0.193310D+01 -0.282888D+01  0.238595D+02
                46            47            48            49            50 
      1  -0.946079D+00  0.845141D+00  0.700196D+01 -0.258999D+01 -0.663251D+00
      2   0.845141D+00 -0.130101D+01  0.644133D+00 -0.663251D+00  0.157937D+02
      3   0.700196D+01  0.644133D+00  0.312044D+01  0.278315D+01 -0.264710D+01
                51            52            53            54            55 
      1   0.278315D+01  0.783293D+00 -0.389552D+00  0.161142D+01  0.138251D+00
      2  -0.264710D+01 -0.389552D+00  0.146637D+02 -0.286027D+01 -0.455261D+00
      3  -0.346434D+02  0.161142D+01 -0.286027D+01 -0.120153D+02 -0.698106D+00
                56            57            58            59            60 
      1  -0.455261D+00 -0.698106D+00 -0.377733D+00 -0.107847D+00  0.177836D+00
      2  -0.192945D+00 -0.203111D-01 -0.107847D+00 -0.199330D+01  0.160850D+01
      3  -0.203111D-01 -0.544998D+00  0.177836D+00  0.160850D+01 -0.250321D+01
                61            62            63            64            65 
      1   0.739490D+00  0.257712D-01 -0.437606D+00 -0.139937D+01  0.410398D+01
      2   0.257712D-01  0.154875D+01 -0.138613D+01  0.410398D+01  0.389900D+00
      3  -0.437606D+00 -0.138613D+01  0.759877D+01  0.591711D+01  0.317577D+00
                66            67            68            69            70 
      1   0.591711D+01  0.157758D+01  0.454435D-01 -0.289909D+01  0.348734D+01
      2   0.317577D+00  0.454435D-01 -0.948689D+01  0.116734D+02 -0.993445D-01
      3  -0.919487D-01 -0.289909D+01  0.116734D+02  0.401637D+02  0.199722D+01
                71            72            73            74            75 
      1  -0.993445D-01  0.199722D+01 -0.661227D-01 -0.606603D-01 -0.241082D+00
      2   0.145223D+02 -0.171789D+01 -0.606603D-01 -0.679266D+00 -0.813027D+00
      3  -0.171789D+01 -0.165363D+02 -0.241082D+00 -0.813027D+00 -0.117779D+01
                76            77            78            79            80 
      1   0.471726D+00 -0.482630D+00 -0.472521D+00  0.814106D+00 -0.622250D+00
      2  -0.482630D+00  0.478245D+01  0.449519D+01 -0.622250D+00  0.489566D+01
      3  -0.472521D+00  0.449519D+01  0.466005D+01 -0.104470D+01  0.671734D+01
                81            82            83            84            85 
      1  -0.104470D+01 -0.882471D+00  0.736778D+01  0.282632D+01  0.343207D+01
      2   0.671734D+01  0.736778D+01 -0.104413D+00 -0.139394D+01 -0.103657D+01
      3   0.117672D+02  0.282632D+01 -0.139394D+01 -0.322807D+01 -0.205604D+01
                86            87            88            89            90 
      1  -0.103657D+01 -0.205604D+01 -0.174190D+01 -0.851401D+00 -0.369525D+01
      2   0.134707D+02  0.163786D+02 -0.851401D+00  0.107314D-02  0.203818D+02
      3   0.163786D+02  0.241057D+02 -0.369525D+01  0.203818D+02  0.400464D+02
                91            92            93            94            95 
      1   0.427826D-01 -0.376047D+00 -0.509173D+00  0.844629D+00 -0.619038D+00
      2  -0.376047D+00 -0.542510D+00 -0.174536D+00 -0.619038D+00  0.147657D+02
      3  -0.509173D+00 -0.174536D+00 -0.118978D+00  0.979032D-01  0.317022D-02
                96            97            98            99           100 
      1   0.979032D-01 -0.155879D+00  0.249893D-01 -0.152366D+00  0.499696D+00
      2   0.317022D-02  0.249893D-01 -0.321406D+01  0.145818D+01  0.178516D-01
      3  -0.104690D+01 -0.152366D+00  0.145818D+01  0.890236D+00 -0.246011D+01
               101           102           103           104           105 
      1   0.178516D-01 -0.246011D+01 -0.156232D+01  0.168326D+01  0.171625D+01
      2   0.247154D+01  0.330346D+01  0.168326D+01 -0.142091D+02 -0.197219D+02
      3   0.330346D+01  0.528022D+01  0.171625D+01 -0.197219D+02 -0.146554D+02
               106           107           108           109           110 
      1  -0.327286D+00  0.248357D+01  0.414268D+01  0.307685D+00  0.191541D+01
      2   0.248357D+01 -0.229731D+02 -0.298087D+02  0.191541D+01 -0.248986D+01
      3   0.414268D+01 -0.298087D+02 -0.455636D+02 -0.285241D+01 -0.148005D+00
               111           112           113           114           115 
      1  -0.285241D+01  0.131093D+01 -0.456061D+01 -0.641437D+01 -0.136895D+01
      2  -0.148005D+00 -0.456061D+01  0.376648D+02  0.514639D+02 -0.997071D+00
      3   0.136085D+01 -0.641437D+01  0.514639D+02  0.710542D+02 -0.186288D+01
               116           117           118           119           120 
      1  -0.997071D+00 -0.186288D+01  0.666453D-01  0.798568D+00 -0.205353D+00
      2   0.150653D+02  0.173870D+02  0.798568D+00 -0.634606D-01 -0.968178D+00
      3   0.173870D+02  0.221435D+02 -0.205353D+00 -0.968178D+00 -0.142455D+01
               121           122           123           124           125 
      1   0.797415D+00  0.353227D+00 -0.117063D+00 -0.366516D+00 -0.297718D+00
      2   0.353227D+00  0.514435D+01 -0.455308D+01 -0.297718D+00 -0.192836D+01
      3  -0.117063D+00 -0.455308D+01  0.354603D+01 -0.196868D+00  0.518567D+01
               126           127           128           129           130 
      1  -0.196868D+00 -0.740359D+01  0.373832D+01  0.429590D+01  0.181371D+01
      2   0.518567D+01  0.373832D+01 -0.747312D-01 -0.697497D+01 -0.585794D+00
      3  -0.148378D+01  0.429590D+01 -0.697497D+01 -0.923312D+01 -0.221528D+01
               131           132           133           134           135 
      1  -0.585794D+00 -0.221528D+01  0.137424D+01 -0.265282D+01 -0.356449D+01
      2   0.743000D+01  0.509585D+01 -0.265282D+01  0.553328D+01  0.854374D+01
      3   0.509585D+01  0.417537D+01 -0.356449D+01  0.854374D+01  0.236829D+02
               136           137           138           139           140 
      1   0.740997D+01 -0.213442D+01 -0.519046D+01 -0.709473D+00  0.118611D+01
      2  -0.213442D+01  0.179403D+01  0.514563D+01  0.118611D+01 -0.266194D+01
      3  -0.519046D+01  0.514563D+01  0.112763D+02  0.333114D+00 -0.133963D+01
               141           142           143           144           145 
      1   0.333114D+00 -0.391377D+00  0.431597D+00  0.189106D+01  0.591916D+01
      2  -0.133963D+01  0.431597D+00 -0.551813D+00 -0.150861D+01 -0.205937D+01
      3  -0.379570D+00  0.189106D+01 -0.150861D+01 -0.624317D+01  0.178138D-01
               146           147           148           149           150 
      1  -0.205937D+01  0.178138D-01 -0.148442D+01 -0.232184D+01  0.212452D+00
      2  -0.316806D+01  0.140821D+01 -0.232184D+01 -0.292330D+01  0.813787D+00
      3   0.140821D+01 -0.240686D+01  0.212452D+00  0.813787D+00  0.729573D+01
               151           152           153           154           155 
      1  -0.237997D+00  0.186722D+00 -0.114213D+01  0.692921D+00  0.182606D+01
      2   0.186722D+00  0.508462D+00  0.303027D+01  0.182606D+01  0.247087D+01
      3  -0.114213D+01  0.303027D+01 -0.481265D+01 -0.549381D+00 -0.805765D+00
               156           157           158           159           160 
      1  -0.549381D+00  0.122498D+01  0.176397D+01 -0.341312D+00 -0.117319D+00
      2  -0.805765D+00  0.176397D+01  0.784601D+01 -0.226201D+01 -0.151829D+00
      3   0.206589D+01 -0.341312D+00 -0.226201D+01  0.231679D+01  0.822849D+00
               161           162           163           164           165 
      1  -0.151829D+00  0.822849D+00 -0.656090D+01  0.181085D+01 -0.134254D+01
      2  -0.468881D+00  0.162330D+01  0.181085D+01 -0.145028D+01  0.517394D+00
      3   0.162330D+01 -0.252338D+00 -0.134254D+01  0.517394D+00 -0.297835D+01
               166           167           168           169           170 
      1   0.867759D+00 -0.102830D+01  0.367775D+00  0.943621D-02 -0.480504D-01
      2  -0.102830D+01  0.138493D+01 -0.545440D+00 -0.480504D-01 -0.324546D-01
      3   0.367775D+00 -0.545440D+00 -0.858082D+00 -0.114339D+01  0.212764D+00
               171           172           173           174           175 
      1  -0.114339D+01 -0.678489D+01 -0.359629D+00  0.184869D+01  0.165110D+00
      2   0.212764D+00 -0.359629D+00  0.225536D+01 -0.806921D+00  0.174403D+01
      3   0.493819D+00  0.184869D+01 -0.806921D+00  0.436184D+01 -0.571372D+00
               176           177           178           179           180 
      1   0.174403D+01 -0.571372D+00  0.764345D+00 -0.263691D+00  0.245646D+01
      2   0.163293D+01  0.678463D+00 -0.263691D+00  0.964126D+00 -0.619781D+01
      3   0.678463D+00 -0.843297D+01  0.245646D+01 -0.619781D+01  0.307999D+01
               181           182           183           184           185 
      1   0.785856D+01  0.858923D+00 -0.303469D+01 -0.534516D-01  0.885855D+00
      2   0.858923D+00  0.132432D+01 -0.175190D+00  0.885855D+00 -0.222850D+00
      3  -0.303469D+01 -0.175190D+00  0.311057D+01 -0.390966D-01 -0.577662D+00
               186           187           188           189           190 
      1  -0.390966D-01 -0.769406D+00 -0.473056D-01  0.140950D+01 -0.274614D+00
      2  -0.577662D+00 -0.473056D-01 -0.138426D+00  0.837138D+00  0.805885D+00
      3   0.753654D+00  0.140950D+01  0.837138D+00 -0.134129D+01 -0.204624D+01
               191           192           193           194           195 
      1   0.805885D+00 -0.204624D+01  0.527828D+00 -0.753795D+00  0.456623D+00
      2  -0.126140D+01  0.946875D+00 -0.753795D+00  0.265061D+01 -0.350665D+01
      3   0.946875D+00 -0.387792D+01  0.456623D+00 -0.350665D+01  0.599371D+01
               196           197           198           199           200 
      1  -0.998637D+00  0.324513D+00 -0.143642D+01  0.678489D+01  0.359629D+00
      2   0.324513D+00 -0.223727D+01  0.415270D+01  0.359629D+00 -0.225536D+01
      3  -0.143642D+01  0.415270D+01 -0.129254D+02  0.184869D+01 -0.806921D+00
               201           202           203           204           205 
      1   0.184869D+01 -0.165110D+00 -0.174403D+01 -0.571372D+00  0.764345D+00
      2  -0.806921D+00 -0.174403D+01 -0.163293D+01  0.678463D+00 -0.263691D+00
      3  -0.436184D+01 -0.571372D+00  0.678463D+00  0.843297D+01 -0.245646D+01
               206           207           208           209           210 
      1  -0.263691D+00 -0.245646D+01  0.274614D+00 -0.805885D+00 -0.204624D+01
      2   0.964126D+00  0.619781D+01 -0.805885D+00  0.126140D+01  0.946875D+00
      3   0.619781D+01  0.307999D+01 -0.204624D+01  0.946875D+00  0.387792D+01
               211           212           213           214           215 
      1  -0.527828D+00  0.753795D+00  0.456623D+00 -0.998637D+00  0.324513D+00
      2   0.753795D+00 -0.265061D+01 -0.350665D+01  0.324513D+00 -0.223727D+01
      3   0.456623D+00 -0.350665D+01 -0.599371D+01  0.143642D+01 -0.415270D+01
               216           217           218           219           220 
      1   0.143642D+01 -0.785856D+01 -0.858923D+00 -0.303469D+01  0.534516D-01
      2  -0.415270D+01 -0.858923D+00 -0.132432D+01 -0.175190D+00 -0.885855D+00
      3  -0.129254D+02 -0.303469D+01 -0.175190D+00 -0.311057D+01 -0.390966D-01
               221           222           223           224           225 
      1  -0.885855D+00 -0.390966D-01 -0.769406D+00 -0.473056D-01 -0.140950D+01
      2   0.222850D+00 -0.577662D+00 -0.473056D-01 -0.138426D+00 -0.837138D+00
      3  -0.577662D+00 -0.753654D+00 -0.140950D+01 -0.837138D+00 -0.134129D+01
               226           227           228           229           230 
      1  -0.591916D+01  0.205937D+01  0.178138D-01  0.148442D+01  0.232184D+01
      2   0.205937D+01  0.316806D+01  0.140821D+01  0.232184D+01  0.292330D+01
      3   0.178138D-01  0.140821D+01  0.240686D+01  0.212452D+00  0.813787D+00
               231           232           233           234           235 
      1   0.212452D+00 -0.237997D+00  0.186722D+00  0.114213D+01  0.656090D+01
      2   0.813787D+00  0.186722D+00  0.508462D+00 -0.303027D+01 -0.181085D+01
      3  -0.729573D+01  0.114213D+01 -0.303027D+01 -0.481265D+01 -0.134254D+01
               236           237           238           239           240 
      1  -0.181085D+01 -0.134254D+01 -0.867759D+00  0.102830D+01  0.367775D+00
      2   0.145028D+01  0.517394D+00  0.102830D+01 -0.138493D+01 -0.545440D+00
      3   0.517394D+00  0.297835D+01  0.367775D+00 -0.545440D+00  0.858082D+00
               241           242           243           244           245 
      1   0.943621D-02 -0.480504D-01  0.114339D+01 -0.692921D+00 -0.182606D+01
      2  -0.480504D-01 -0.324546D-01 -0.212764D+00 -0.182606D+01 -0.247087D+01
      3   0.114339D+01 -0.212764D+00  0.493819D+00 -0.549381D+00 -0.805765D+00
               246           247           248           249           250 
      1  -0.549381D+00 -0.122498D+01 -0.176397D+01 -0.341312D+00 -0.117319D+00
      2  -0.805765D+00 -0.176397D+01 -0.784601D+01 -0.226201D+01 -0.151829D+00
      3  -0.206589D+01 -0.341312D+00 -0.226201D+01 -0.231679D+01 -0.822849D+00
               251           252           253           254           255 
      1  -0.151829D+00 -0.822849D+00  0.740359D+01 -0.373832D+01  0.429590D+01
      2  -0.468881D+00 -0.162330D+01 -0.373832D+01  0.747312D-01 -0.697497D+01
      3  -0.162330D+01 -0.252338D+00  0.429590D+01 -0.697497D+01  0.923312D+01
               256           257           258           259           260 
      1  -0.181371D+01  0.585794D+00 -0.221528D+01  0.137424D+01 -0.265282D+01
      2   0.585794D+00 -0.743000D+01  0.509585D+01 -0.265282D+01  0.553328D+01
      3  -0.221528D+01  0.509585D+01 -0.417537D+01  0.356449D+01 -0.854374D+01
               261           262           263           264           265 
      1   0.356449D+01 -0.740997D+01  0.213442D+01 -0.519046D+01  0.709473D+00
      2  -0.854374D+01  0.213442D+01 -0.179403D+01  0.514563D+01 -0.118611D+01
      3   0.236829D+02 -0.519046D+01  0.514563D+01 -0.112763D+02  0.333114D+00
               266           267           268           269           270 
      1  -0.118611D+01  0.333114D+00 -0.391377D+00  0.431597D+00 -0.189106D+01
      2   0.266194D+01 -0.133963D+01  0.431597D+00 -0.551813D+00  0.150861D+01
      3  -0.133963D+01  0.379570D+00 -0.189106D+01  0.150861D+01 -0.624317D+01
               271           272           273           274           275 
      1  -0.307685D+00 -0.191541D+01 -0.285241D+01 -0.131093D+01  0.456061D+01
      2  -0.191541D+01  0.248986D+01 -0.148005D+00  0.456061D+01 -0.376648D+02
      3  -0.285241D+01 -0.148005D+00 -0.136085D+01 -0.641437D+01  0.514639D+02
               276           277           278           279           280 
      1  -0.641437D+01 -0.136895D+01 -0.997071D+00  0.186288D+01 -0.666453D-01
      2   0.514639D+02 -0.997071D+00  0.150653D+02 -0.173870D+02 -0.798568D+00
      3  -0.710542D+02  0.186288D+01 -0.173870D+02  0.221435D+02 -0.205353D+00
               281           282           283           284           285 
      1  -0.798568D+00 -0.205353D+00 -0.797415D+00 -0.353227D+00 -0.117063D+00
      2   0.634606D-01 -0.968178D+00 -0.353227D+00 -0.514435D+01 -0.455308D+01
      3  -0.968178D+00  0.142455D+01 -0.117063D+00 -0.455308D+01 -0.354603D+01
               286           287           288           289           290 
      1  -0.366516D+00 -0.297718D+00  0.196868D+00 -0.499696D+00 -0.178516D-01
      2  -0.297718D+00 -0.192836D+01 -0.518567D+01 -0.178516D-01 -0.247154D+01
      3   0.196868D+00 -0.518567D+01 -0.148378D+01 -0.246011D+01  0.330346D+01
               291           292           293           294           295 
      1  -0.246011D+01  0.156232D+01 -0.168326D+01  0.171625D+01 -0.327286D+00
      2   0.330346D+01 -0.168326D+01  0.142091D+02 -0.197219D+02  0.248357D+01
      3  -0.528022D+01  0.171625D+01 -0.197219D+02  0.146554D+02 -0.414268D+01
               296           297           298           299           300 
      1   0.248357D+01 -0.414268D+01  0.882471D+00 -0.736778D+01  0.282632D+01
      2  -0.229731D+02  0.298087D+02 -0.736778D+01  0.104413D+00 -0.139394D+01
      3   0.298087D+02 -0.455636D+02  0.282632D+01 -0.139394D+01  0.322807D+01
               301           302           303           304           305 
      1  -0.343207D+01  0.103657D+01 -0.205604D+01 -0.174190D+01 -0.851401D+00
      2   0.103657D+01 -0.134707D+02  0.163786D+02 -0.851401D+00  0.107313D-02
      3  -0.205604D+01  0.163786D+02 -0.241057D+02  0.369525D+01 -0.203818D+02
               306           307           308           309           310 
      1   0.369525D+01 -0.427826D-01  0.376047D+00 -0.509173D+00 -0.844629D+00
      2  -0.203818D+02  0.376047D+00  0.542510D+00 -0.174536D+00  0.619038D+00
      3   0.400464D+02 -0.509173D+00 -0.174536D+00  0.118978D+00  0.979032D-01
               311           312           313           314           315 
      1   0.619038D+00  0.979032D-01 -0.155879D+00  0.249893D-01  0.152366D+00
      2  -0.147657D+02  0.317022D-02  0.249893D-01 -0.321406D+01 -0.145818D+01
      3   0.317022D-02  0.104690D+01  0.152366D+00 -0.145818D+01  0.890236D+00
               316           317           318           319           320 
      1   0.139937D+01 -0.410398D+01  0.591711D+01 -0.157758D+01 -0.454435D-01
      2  -0.410398D+01 -0.389900D+00  0.317577D+00 -0.454435D-01  0.948689D+01
      3   0.591711D+01  0.317577D+00  0.919487D-01 -0.289909D+01  0.116734D+02
               321           322           323           324           325 
      1  -0.289909D+01  0.348734D+01 -0.993445D-01 -0.199722D+01  0.661227D-01
      2   0.116734D+02 -0.993445D-01  0.145223D+02  0.171789D+01  0.606603D-01
      3  -0.401637D+02 -0.199722D+01  0.171789D+01 -0.165363D+02 -0.241082D+00
               326           327           328           329           330 
      1   0.606603D-01 -0.241082D+00 -0.471726D+00  0.482630D+00 -0.472521D+00
      2   0.679266D+00 -0.813027D+00  0.482630D+00 -0.478245D+01  0.449519D+01
      3  -0.813027D+00  0.117779D+01 -0.472521D+00  0.449519D+01 -0.466005D+01
               331           332           333           334           335 
      1   0.814106D+00 -0.622250D+00  0.104470D+01  0.946079D+00 -0.845141D+00
      2  -0.622250D+00  0.489566D+01 -0.671734D+01 -0.845141D+00  0.130101D+01
      3   0.104470D+01 -0.671734D+01  0.117672D+02  0.700196D+01  0.644133D+00
               336           337           338           339           340 
      1   0.700196D+01  0.258999D+01  0.663251D+00  0.278315D+01  0.783293D+00
      2   0.644133D+00  0.663251D+00 -0.157937D+02 -0.264710D+01 -0.389552D+00
      3  -0.312044D+01  0.278315D+01 -0.264710D+01  0.346434D+02 -0.161142D+01
               341           342           343           344           345 
      1  -0.389552D+00 -0.161142D+01 -0.138251D+00  0.455261D+00 -0.698106D+00
      2   0.146637D+02  0.286027D+01  0.455261D+00  0.192945D+00 -0.203111D-01
      3   0.286027D+01 -0.120153D+02 -0.698106D+00 -0.203111D-01  0.544998D+00
               346           347           348           349           350 
      1   0.377733D+00  0.107847D+00  0.177836D+00  0.739490D+00  0.257712D-01
      2   0.107847D+00  0.199330D+01  0.160850D+01  0.257712D-01  0.154875D+01
      3   0.177836D+00  0.160850D+01  0.250321D+01  0.437606D+00  0.138613D+01
               351 
      1   0.437606D+00
      2   0.138613D+01
      3   0.759877D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00  0.865694D+01  0.000000D+00  0.118543D-05
      2   0.000000D+00  0.000000D+00  0.203200D+02  0.000000D+00  0.000000D+00
      3   0.435282D+00 -0.547059D+02  0.000000D+00 -0.721006D+01  0.918290D+01
                 6             7             8             9            10 
      1  -0.219468D+02 -0.754897D+00  0.906714D+02  0.000000D+00 -0.363951D+01
      2   0.717801D+00  0.204002D+01 -0.140254D+02  0.000000D+00 -0.376405D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.145096D+01 -0.408672D+00
                11            12            13            14            15 
      1   0.101005D+01  0.348199D+00 -0.421370D+01 -0.495676D+02  0.165255D+03
      2   0.383738D+02  0.189928D+02 -0.518170D+00 -0.148004D+01  0.462893D+01
      3  -0.154391D+02  0.259412D+02  0.488486D+01 -0.184994D+01  0.371223D+01
                16            17            18            19            20 
      1   0.242501D+02 -0.274446D+03 -0.246710D+03  0.192618D+02 -0.260172D+01
      2   0.436811D+01 -0.408184D+01 -0.291173D+01  0.345495D+01 -0.648450D+02
      3   0.169244D+01  0.688515D+00 -0.627829D+01  0.452701D+01 -0.217568D+02
                21            22            23            24            25 
      1   0.113270D+02 -0.247603D+02  0.653503D+02  0.450125D+03 -0.291832D+02
      2  -0.177611D+02 -0.802072D+01 -0.138521D+02  0.383451D+00 -0.888952D+01
      3  -0.602549D+02  0.586418D+01 -0.614766D+01 -0.235144D+01  0.168627D+00
                26            27            28            29            30 
      1   0.228318D+03  0.181293D+03 -0.192618D+02  0.260172D+01  0.113270D+02
      2   0.473035D+01 -0.605842D+00 -0.345495D+01  0.648450D+02 -0.177611D+02
      3   0.151516D+01 -0.435688D+01  0.452701D+01 -0.217568D+02  0.602549D+02
                31            32            33            34            35 
      1   0.247603D+02 -0.653503D+02  0.450125D+03 -0.291832D+02  0.228318D+03
      2   0.802072D+01  0.138521D+02  0.383449D+00 -0.888952D+01  0.473035D+01
      3   0.586418D+01 -0.614766D+01  0.235145D+01 -0.168627D+00 -0.151516D+01
                36            37            38            39            40 
      1  -0.181293D+03  0.363951D+01 -0.101005D+01  0.348200D+00  0.421370D+01
      2   0.605843D+00  0.376405D+01 -0.383738D+02  0.189928D+02  0.518170D+00
      3  -0.435688D+01 -0.408672D+00 -0.154391D+02 -0.259412D+02  0.488486D+01
                41            42            43            44            45 
      1   0.495676D+02  0.165255D+03  0.242501D+02 -0.274446D+03  0.246710D+03
      2   0.148004D+01  0.462893D+01  0.436811D+01 -0.408184D+01  0.291173D+01
      3  -0.184994D+01 -0.371223D+01 -0.169244D+01 -0.688516D+00 -0.627829D+01
                46            47            48            49            50 
      1  -0.369967D+02 -0.327468D+01 -0.147307D+02 -0.148902D+02  0.133987D+02
      2   0.162740D+01 -0.762512D+01 -0.204340D+02  0.797405D+01  0.100518D+01
      3  -0.587391D+00 -0.584846D+01  0.358322D+01 -0.519601D+01 -0.822734D+00
                51            52            53            54            55 
      1   0.217246D+03 -0.120282D+02  0.101385D+03  0.108577D+03  0.541518D+01
      2   0.169706D+01 -0.648649D+01  0.186459D+01  0.388241D+00 -0.451931D+00
      3   0.376138D+01  0.732758D+00 -0.425211D+00  0.411834D+01 -0.296325D+00
                56            57            58            59            60 
      1   0.184440D+00 -0.287657D+00 -0.450988D+00 -0.268434D+02  0.238219D+02
      2   0.221366D+01  0.483837D+01  0.223708D+01 -0.717571D+00  0.548992D+00
      3   0.639309D-01  0.689137D+01  0.595292D+00 -0.611069D+00  0.944264D+00
                61            62            63            64            65 
      1   0.242891D+01  0.149813D+02 -0.306762D+02 -0.152509D+02  0.375042D+01
      2  -0.368425D+01  0.406781D+00 -0.199885D-01  0.226098D+01 -0.171756D+02
      3   0.691547D-02  0.365642D+00 -0.879220D+00 -0.298387D+01  0.263288D+01
                66            67            68            69            70 
      1   0.523231D+01  0.180478D+02 -0.109501D+03 -0.238839D+03 -0.886828D+01
      2  -0.786315D+01 -0.281963D+01 -0.192930D+01 -0.175128D+01 -0.143112D+02
      3   0.151007D+02  0.219829D+01 -0.110610D+01 -0.625031D+01  0.151342D+02
                71            72            73            74            75 
      1   0.429220D+02  0.106287D+03  0.191643D+01  0.382524D+00  0.135737D+01
      2  -0.577749D+00 -0.162537D+01  0.400013D+00  0.324722D+01  0.268411D+01
      3   0.893054D+00  0.415165D+01 -0.338586D+00 -0.230462D+01 -0.208970D+01
                76            77            78            79            80 
      1   0.295232D+00 -0.166467D+01 -0.286704D+01  0.207701D+01 -0.617017D+01
      2  -0.262311D+01  0.506723D+00  0.402608D+00 -0.504990D+01  0.589266D+00
      3   0.268853D+01 -0.305840D+00 -0.552947D+00  0.421339D+01 -0.789476D+00
                81            82            83            84            85 
      1  -0.241886D+02  0.175357D+01  0.877998D+01  0.135123D+02  0.839281D+01
      2   0.494716D+00 -0.905039D+00 -0.285604D+01  0.242526D+02 -0.525383D+01
      3  -0.181008D+01 -0.154579D+01  0.243204D+02  0.151572D+02  0.134111D+02
                86            87            88            89            90 
      1  -0.579632D+02 -0.113142D+03  0.163345D+02 -0.131303D+03 -0.185937D+03
      2   0.175734D+01  0.178204D+01  0.133536D+02  0.321823D+01  0.565599D+01
      3   0.876958D+00 -0.176427D+01 -0.102826D+02 -0.409382D+00 -0.517542D+01
                91            92            93            94            95 
      1   0.140104D+01  0.624168D-01  0.641987D+00 -0.182998D+01  0.276310D+02
      2  -0.353970D-01 -0.271550D+00  0.407192D-01 -0.955907D+00  0.158634D+01
      3   0.335766D+00 -0.642405D+01 -0.515375D+01  0.636720D+01  0.381447D+00
                96            97            98            99           100 
      1   0.552906D+01  0.605953D+00 -0.897770D+01 -0.350673D+00  0.828408D+01
      2  -0.143128D+00 -0.167123D+00 -0.510218D+00  0.192227D+00  0.321165D+00
      3   0.674163D-01 -0.163105D+01 -0.875859D+00 -0.559037D+00  0.448210D+00
               101           102           103           104           105 
      1  -0.104620D+02 -0.206205D+02  0.110981D+01  0.542208D+02 -0.440851D+02
      2  -0.337792D+01  0.163648D+02  0.239838D+00 -0.607237D+01 -0.668957D+01
      3   0.489839D+00 -0.606645D+01 -0.520963D+01  0.704020D+00 -0.198358D+01
               106           107           108           109           110 
      1  -0.181903D+02  0.151184D+03  0.297323D+03  0.115548D+02  0.869047D+01
      2  -0.121263D+02 -0.589065D+01  0.227917D-01 -0.286739D+01  0.275526D+02
      3   0.478811D+01 -0.145968D-01  0.530312D+01  0.360155D+01 -0.187095D+02
               111           112           113           114           115 
      1  -0.188201D+01  0.374333D+02 -0.309726D+03 -0.476178D+03  0.280663D+01
      2   0.401869D+02  0.486541D+01  0.992186D+01  0.141461D+01  0.113604D+02
      3  -0.267659D+02 -0.394394D+01 -0.181606D+01 -0.715466D+01 -0.102104D+02
               116           117           118           119           120 
      1  -0.415633D+02 -0.133837D+03  0.104348D+01  0.967766D+00  0.579074D+01
      2   0.479663D+01  0.251958D+01 -0.240349D+00  0.912825D+01  0.371892D+00
      3   0.157270D+01 -0.851442D+00 -0.261394D+00  0.352595D+01  0.897341D+01
               121           122           123           124           125 
      1   0.539483D+00  0.999847D+01 -0.152593D+02  0.158090D+01 -0.259269D+02
      2   0.218377D+01  0.132805D+00 -0.446022D+00 -0.200177D+01  0.967349D+00
      3   0.452063D+01  0.102066D+01 -0.944845D+00 -0.291649D+01 -0.458902D+00
               126           127           128           129           130 
      1   0.574819D+00 -0.263914D+02  0.460493D+01  0.440966D+02  0.782648D+01
      2   0.107357D+00 -0.162724D+02  0.206490D+02  0.226651D+02  0.580669D+01
      3   0.699621D+00 -0.618384D+01  0.640161D+01  0.141737D+02  0.309787D+01
               131           132           133           134           135 
      1  -0.838865D+02 -0.530569D+02  0.207167D+02 -0.444672D+02 -0.116404D+03
      2   0.131137D+01 -0.450895D+01  0.254720D+01  0.413440D+01  0.739388D+01
      3  -0.109635D+01 -0.111994D+00  0.914589D-01  0.191870D+01  0.536897D+01
               136           137           138           139           140 
      1   0.174019D+02 -0.142146D+02 -0.448505D+02 -0.486720D+01  0.184799D+02
      2   0.153125D+02 -0.281247D+01 -0.235074D+01 -0.114510D+01 -0.971467D+00
      3   0.577791D+01 -0.453019D+01 -0.339459D+01 -0.190802D+00  0.305465D+01
               141           142           143           144           145 
      1   0.255905D+01 -0.503628D+01  0.120934D+02  0.245506D+02  0.835705D+01
      2  -0.584049D+00 -0.124106D+01 -0.220142D+01  0.567159D+00  0.199973D+02
      3   0.275231D+01 -0.874103D-02 -0.413321D-01  0.826818D+00  0.101819D+02
               146           147           148           149           150 
      1   0.118698D+02 -0.582999D+01  0.117707D+02  0.123443D+02 -0.187098D+02
      2  -0.562485D+01  0.594793D+01 -0.563378D+01 -0.327507D+01  0.425360D+01
      3  -0.726006D+01  0.376025D+01 -0.117398D+01 -0.362870D+01  0.246707D+01
               151           152           153           154           155 
      1   0.109889D+01 -0.359545D+01 -0.281439D+01 -0.695103D+01 -0.100627D+02
      2  -0.334198D+01  0.241491D+01 -0.737699D+01  0.214630D+01  0.586254D+01
      3   0.498699D-01  0.929017D+00 -0.276023D+01  0.177222D+01  0.313324D+01
               156           157           158           159           160 
      1  -0.168619D+01 -0.706409D+01 -0.324287D+02  0.130004D+01 -0.117622D+01
      2  -0.479765D-01  0.425156D+01  0.553341D+01 -0.797766D+00 -0.902774D+00
      3  -0.143815D+01  0.499606D+01  0.406244D+01 -0.111899D+01 -0.347369D+00
               161           162           163           164           165 
      1  -0.231011D+01 -0.108364D+02 -0.528343D+01  0.530977D+01  0.533664D+01
      2  -0.800318D+00  0.315398D+01 -0.223448D+02  0.655069D+01 -0.198019D+00
      3  -0.582810D+00  0.120023D+01 -0.123390D+02  0.110082D+00 -0.219508D+01
               166           167           168           169           170 
      1   0.367161D+01 -0.537654D+01  0.229389D+01  0.246337D+01  0.278516D+00
      2   0.289818D+01 -0.371127D+01  0.114751D+01 -0.737072D+00 -0.737966D-01
      3   0.205255D+01 -0.143651D+01  0.576323D+00  0.207775D+00  0.267054D+00
               171           172           173           174           175 
      1  -0.430270D+01 -0.692764D-01 -0.107084D+02  0.373041D+00 -0.944186D+01
      2  -0.406149D+01 -0.326888D+02 -0.177948D+01  0.152632D+02  0.110932D+01
      3  -0.109375D+01 -0.554378D+01 -0.407437D+01  0.253851D+01  0.176265D+01
               176           177           178           179           180 
      1  -0.142163D+02 -0.269785D+00 -0.729945D+00  0.578933D+01  0.347437D+02
      2   0.860962D+01 -0.540639D+01  0.222709D+01 -0.289297D+01  0.150037D+02
      3   0.156108D+01 -0.228323D+01  0.690848D+00 -0.907346D+00  0.472208D+01
               181           182           183           184           185 
      1  -0.214693D+01 -0.787293D+01 -0.185116D+01 -0.455536D+01  0.252648D+01
      2   0.373469D+02  0.410266D+01 -0.989919D+01 -0.432001D+00  0.398259D+01
      3   0.670945D+01 -0.280317D+01 -0.270814D+01  0.587308D+00  0.115357D+01
               186           187           188           189           190 
      1   0.537116D+00 -0.931558D+00  0.241647D+00 -0.379144D+01 -0.239872D+01
      2   0.121935D-01 -0.375182D+01  0.515014D+00  0.661905D+01 -0.194161D+01
      3   0.399106D+00 -0.542577D+00  0.630750D-01  0.613813D+00 -0.616892D+00
               191           192           193           194           195 
      1   0.708519D+01 -0.606087D+00  0.378088D+01 -0.117655D+02  0.113658D+02
      2   0.384808D+01 -0.986766D+01  0.351353D+01 -0.430290D+01  0.369724D+01
      3  -0.116624D+00 -0.244627D+01  0.186959D+01 -0.105420D+01  0.151665D+01
               196           197           198           199           200 
      1  -0.307804D+00  0.121725D+02 -0.912213D+01  0.692765D-01  0.107084D+02
      2  -0.776175D+01  0.287303D+01 -0.987188D+01  0.326888D+02  0.177948D+01
      3  -0.186645D+01  0.102220D+01 -0.251482D+01 -0.554378D+01 -0.407437D+01
               201           202           203           204           205 
      1   0.373042D+00  0.944185D+01  0.142163D+02 -0.269785D+00 -0.729945D+00
      2   0.152632D+02 -0.110932D+01 -0.860962D+01 -0.540639D+01  0.222709D+01
      3  -0.253851D+01  0.176265D+01  0.156108D+01  0.228323D+01 -0.690848D+00
               206           207           208           209           210 
      1   0.578933D+01 -0.347438D+02  0.239872D+01 -0.708519D+01 -0.606088D+00
      2  -0.289297D+01 -0.150037D+02  0.194161D+01 -0.384808D+01 -0.986766D+01
      3   0.907346D+00  0.472208D+01 -0.616892D+00 -0.116624D+00  0.244627D+01
               211           212           213           214           215 
      1  -0.378088D+01  0.117655D+02  0.113658D+02 -0.307804D+00  0.121725D+02
      2  -0.351353D+01  0.430290D+01  0.369724D+01 -0.776175D+01  0.287303D+01
      3   0.186959D+01 -0.105420D+01 -0.151665D+01  0.186645D+01 -0.102220D+01
               216           217           218           219           220 
      1   0.912213D+01  0.214693D+01  0.787293D+01 -0.185116D+01  0.455536D+01
      2   0.987188D+01 -0.373469D+02 -0.410266D+01 -0.989919D+01  0.432001D+00
      3  -0.251482D+01  0.670945D+01 -0.280317D+01  0.270814D+01  0.587308D+00
               221           222           223           224           225 
      1  -0.252648D+01  0.537116D+00 -0.931558D+00  0.241647D+00  0.379144D+01
      2  -0.398259D+01  0.121930D-01 -0.375182D+01  0.515015D+00 -0.661905D+01
      3   0.115357D+01 -0.399106D+00  0.542577D+00 -0.630750D-01  0.613813D+00
               226           227           228           229           230 
      1  -0.835704D+01 -0.118698D+02 -0.582999D+01 -0.117707D+02 -0.123443D+02
      2  -0.199972D+02  0.562485D+01  0.594793D+01  0.563378D+01  0.327507D+01
      3   0.101819D+02 -0.726006D+01 -0.376025D+01 -0.117398D+01 -0.362870D+01
               231           232           233           234           235 
      1  -0.187098D+02  0.109889D+01 -0.359545D+01  0.281439D+01  0.528343D+01
      2   0.425360D+01 -0.334198D+01  0.241491D+01  0.737699D+01  0.223448D+02
      3  -0.246707D+01 -0.498699D-01 -0.929016D+00 -0.276023D+01 -0.123390D+02
               236           237           238           239           240 
      1  -0.530977D+01  0.533664D+01 -0.367161D+01  0.537654D+01  0.229389D+01
      2  -0.655069D+01 -0.198020D+00 -0.289818D+01  0.371127D+01  0.114751D+01
      3   0.110083D+00  0.219508D+01  0.205255D+01 -0.143651D+01 -0.576323D+00
               241           242           243           244           245 
      1   0.246337D+01  0.278516D+00  0.430270D+01  0.695103D+01  0.100627D+02
      2  -0.737072D+00 -0.737965D-01  0.406149D+01 -0.214630D+01 -0.586254D+01
      3  -0.207775D+00 -0.267055D+00 -0.109375D+01  0.177222D+01  0.313324D+01
               246           247           248           249           250 
      1  -0.168619D+01  0.706409D+01  0.324288D+02  0.130004D+01 -0.117622D+01
      2  -0.479764D-01 -0.425156D+01 -0.553341D+01 -0.797766D+00 -0.902775D+00
      3   0.143815D+01  0.499606D+01  0.406244D+01  0.111899D+01  0.347369D+00
               251           252           253           254           255 
      1  -0.231011D+01  0.108364D+02  0.263914D+02 -0.460493D+01  0.440966D+02
      2  -0.800318D+00 -0.315398D+01  0.162724D+02 -0.206490D+02  0.226651D+02
      3   0.582810D+00  0.120023D+01 -0.618384D+01  0.640161D+01 -0.141737D+02
               256           257           258           259           260 
      1  -0.782648D+01  0.838865D+02 -0.530569D+02  0.207167D+02 -0.444672D+02
      2  -0.580669D+01 -0.131137D+01 -0.450894D+01  0.254720D+01  0.413440D+01
      3   0.309787D+01 -0.109635D+01  0.111994D+00 -0.914589D-01 -0.191870D+01
               261           262           263           264           265 
      1   0.116404D+03 -0.174019D+02  0.142146D+02 -0.448505D+02  0.486720D+01
      2  -0.739388D+01 -0.153125D+02  0.281247D+01 -0.235074D+01  0.114510D+01
      3   0.536897D+01  0.577791D+01 -0.453019D+01  0.339459D+01 -0.190802D+00
               266           267           268           269           270 
      1  -0.184799D+02  0.255905D+01 -0.503628D+01  0.120934D+02 -0.245506D+02
      2   0.971466D+00 -0.584049D+00 -0.124106D+01 -0.220142D+01 -0.567161D+00
      3   0.305465D+01 -0.275231D+01  0.874121D-02  0.413305D-01  0.826818D+00
               271           272           273           274           275 
      1  -0.115548D+02 -0.869047D+01 -0.188200D+01 -0.374333D+02  0.309726D+03
      2   0.286739D+01 -0.275526D+02  0.401869D+02 -0.486541D+01 -0.992187D+01
      3   0.360155D+01 -0.187095D+02  0.267659D+02 -0.394394D+01 -0.181606D+01
               276           277           278           279           280 
      1  -0.476178D+03  0.280663D+01 -0.415633D+02  0.133837D+03 -0.104348D+01
      2   0.141462D+01  0.113604D+02  0.479663D+01 -0.251958D+01  0.240349D+00
      3   0.715466D+01  0.102104D+02 -0.157270D+01 -0.851443D+00 -0.261394D+00
               281           282           283           284           285 
      1  -0.967766D+00  0.579074D+01 -0.539483D+00 -0.999847D+01 -0.152593D+02
      2  -0.912825D+01  0.371892D+00 -0.218377D+01 -0.132805D+00 -0.446021D+00
      3   0.352595D+01 -0.897341D+01  0.452063D+01  0.102066D+01  0.944846D+00
               286           287           288           289           290 
      1   0.158090D+01 -0.259269D+02 -0.574818D+00 -0.828407D+01  0.104620D+02
      2  -0.200177D+01  0.967349D+00 -0.107358D+00 -0.321166D+00  0.337792D+01
      3   0.291649D+01  0.458902D+00  0.699621D+00  0.448209D+00  0.489837D+00
               291           292           293           294           295 
      1  -0.206205D+02 -0.110980D+01 -0.542208D+02 -0.440851D+02 -0.181903D+02
      2   0.163648D+02 -0.239838D+00  0.607237D+01 -0.668957D+01 -0.121263D+02
      3   0.606646D+01 -0.520963D+01  0.704021D+00  0.198358D+01 -0.478811D+01
               296           297           298           299           300 
      1   0.151184D+03 -0.297323D+03 -0.175359D+01 -0.877999D+01  0.135123D+02
      2  -0.589065D+01 -0.227884D-01  0.905039D+00  0.285604D+01  0.242526D+02
      3   0.145974D-01  0.530312D+01 -0.154579D+01  0.243204D+02 -0.151572D+02
               301           302           303           304           305 
      1  -0.839281D+01  0.579631D+02 -0.113142D+03  0.163345D+02 -0.131303D+03
      2   0.525383D+01 -0.175734D+01  0.178204D+01  0.133536D+02  0.321823D+01
      3   0.134111D+02  0.876958D+00  0.176427D+01  0.102826D+02  0.409381D+00
               306           307           308           309           310 
      1   0.185937D+03 -0.140104D+01 -0.624157D-01  0.641986D+00  0.182998D+01
      2  -0.565599D+01  0.353971D-01  0.271550D+00  0.407199D-01  0.955907D+00
      3  -0.517542D+01  0.335766D+00 -0.642405D+01  0.515375D+01  0.636720D+01
               311           312           313           314           315 
      1  -0.276310D+02  0.552906D+01  0.605953D+00 -0.897770D+01  0.350673D+00
      2  -0.158634D+01 -0.143128D+00 -0.167123D+00 -0.510218D+00 -0.192227D+00
      3   0.381447D+00 -0.674165D-01  0.163105D+01  0.875859D+00 -0.559037D+00
               316           317           318           319           320 
      1   0.152509D+02 -0.375042D+01  0.523230D+01 -0.180478D+02  0.109501D+03
      2  -0.226098D+01  0.171756D+02 -0.786315D+01  0.281963D+01  0.192930D+01
      3  -0.298387D+01  0.263288D+01 -0.151007D+02  0.219829D+01 -0.110610D+01
               321           322           323           324           325 
      1  -0.238839D+03 -0.886828D+01  0.429221D+02 -0.106287D+03 -0.191643D+01
      2  -0.175128D+01 -0.143112D+02 -0.577749D+00  0.162537D+01 -0.400013D+00
      3   0.625031D+01 -0.151342D+02 -0.893055D+00  0.415165D+01 -0.338586D+00
               326           327           328           329           330 
      1  -0.382523D+00  0.135737D+01 -0.295232D+00  0.166467D+01 -0.286704D+01
      2  -0.324722D+01  0.268411D+01  0.262311D+01 -0.506723D+00  0.402608D+00
      3  -0.230462D+01  0.208970D+01  0.268853D+01 -0.305840D+00  0.552947D+00
               331           332           333           334           335 
      1   0.207701D+01 -0.617017D+01  0.241886D+02  0.369967D+02  0.327468D+01
      2  -0.504990D+01  0.589266D+00 -0.494716D+00 -0.162740D+01  0.762512D+01
      3  -0.421339D+01  0.789476D+00 -0.181008D+01 -0.587391D+00 -0.584846D+01
               336           337           338           339           340 
      1  -0.147307D+02  0.148902D+02 -0.133987D+02  0.217246D+03 -0.120282D+02
      2  -0.204340D+02 -0.797405D+01 -0.100518D+01  0.169706D+01 -0.648649D+01
      3  -0.358322D+01 -0.519601D+01 -0.822734D+00 -0.376138D+01 -0.732758D+00
               341           342           343           344           345 
      1   0.101385D+03 -0.108577D+03 -0.541518D+01 -0.184441D+00 -0.287657D+00
      2   0.186459D+01 -0.388241D+00  0.451931D+00 -0.221366D+01  0.483837D+01
      3   0.425212D+00  0.411835D+01 -0.296325D+00  0.639309D-01 -0.689137D+01
               346           347           348           349           350 
      1   0.450988D+00  0.268434D+02  0.238219D+02  0.242891D+01  0.149813D+02
      2  -0.223708D+01  0.717571D+00  0.548993D+00 -0.368425D+01  0.406781D+00
      3   0.595292D+00 -0.611069D+00 -0.944264D+00 -0.691543D-02 -0.365642D+00
               351 
      1   0.306762D+02
      2   0.199882D-01
      3  -0.879220D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.339703D+02 -0.413389D+00  0.000000D+00  0.121469D+01  0.118793D+02
      2  -0.220877D+02 -0.362926D+01  0.000000D+00 -0.610272D+00 -0.169703D+02
      3  -0.118826D+02  0.404265D+01  0.000000D+00 -0.604422D+00  0.509098D+01
      4   0.138415D+01  0.289745D+01  0.000000D+00 -0.933536D+01  0.883762D+00
      5   0.000000D+00  0.000000D+00  0.444856D+00  0.000000D+00  0.000000D+00
      6   0.000000D+00  0.000000D+00 -0.294830D+00  0.000000D+00  0.000000D+00
                 6             7             8             9            10 
      1   0.000000D+00  0.000000D+00  0.000000D+00  0.344225D+02  0.439540D+01
      2   0.000000D+00  0.000000D+00  0.000000D+00 -0.427263D+01 -0.587151D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.301499D+02  0.147611D+01
      4   0.000000D+00  0.000000D+00  0.000000D+00  0.575547D+01  0.842324D-01
      5   0.404159D+00  0.142677D+01  0.548783D+01  0.000000D+00  0.204062D+01
      6  -0.239522D+02  0.106729D+02 -0.837185D+02  0.000000D+00 -0.504124D+01
                11            12            13            14            15 
      1  -0.617460D+00  0.203519D+01 -0.359538D+01  0.142459D+02  0.162545D+02
      2   0.474110D+01 -0.222646D+00  0.176612D+01 -0.672904D+01 -0.626114D+01
      3  -0.412364D+01 -0.181255D+01  0.182927D+01 -0.751683D+01 -0.999331D+01
      4  -0.260656D+01  0.100751D+01  0.835943D+01  0.229363D+01  0.381251D+01
      5  -0.641264D+01 -0.106350D+01  0.331688D+01  0.270058D+01  0.248646D+01
      6   0.434896D+01 -0.778013D+01  0.617182D+01 -0.455650D+02 -0.605576D+02
                16            17            18            19            20 
      1   0.174189D+01  0.339963D+02 -0.183558D+02  0.747141D+01  0.457178D+00
      2   0.437199D+01 -0.758831D+02 -0.364206D+02 -0.909376D+01  0.966846D+01
      3  -0.611388D+01  0.418868D+02  0.547765D+02  0.162235D+01 -0.101256D+02
      4   0.338698D+01  0.447371D+01 -0.554429D+01  0.298052D+01 -0.624855D+01
      5  -0.774532D+01  0.306612D+01 -0.638446D+01  0.598757D+00  0.715151D+01
      6  -0.609790D+01 -0.572245D+02  0.120380D+03 -0.158348D+02  0.181726D+01
                21            22            23            24            25 
      1   0.729138D+01 -0.110536D+02  0.674044D+02  0.107502D+03 -0.609704D+01
      2   0.128377D+01  0.120636D+02 -0.609988D+02 -0.105281D+03  0.902317D+01
      3  -0.857515D+01 -0.100999D+01 -0.640559D+01 -0.222117D+01 -0.292613D+01
      4  -0.644915D+01  0.747769D+01  0.146263D+02  0.205702D+02  0.124002D+01
      5   0.121768D+02  0.161925D+02  0.103681D+02  0.146772D+02  0.149018D+02
      6  -0.293907D+02  0.374260D+02 -0.266866D+03 -0.397493D+03  0.107941D+02
                26            27            28            29            30 
      1   0.976993D+01  0.243398D+02  0.747141D+01  0.457178D+00 -0.729138D+01
      2  -0.278186D+02 -0.587059D+02 -0.909376D+01  0.966846D+01 -0.128377D+01
      3   0.180487D+02  0.343662D+02  0.162235D+01 -0.101256D+02  0.857515D+01
      4   0.267484D+01  0.538269D+01  0.298052D+01 -0.624855D+01  0.644915D+01
      5  -0.773608D+01 -0.416820D+01 -0.598757D+00 -0.715151D+01  0.121768D+02
      6  -0.620519D+01 -0.117589D+03  0.158348D+02 -0.181726D+01 -0.293907D+02
                31            32            33            34            35 
      1  -0.110536D+02  0.674044D+02 -0.107502D+03  0.609704D+01 -0.976993D+01
      2   0.120636D+02 -0.609988D+02  0.105281D+03 -0.902317D+01  0.278186D+02
      3  -0.100999D+01 -0.640559D+01  0.222117D+01  0.292613D+01 -0.180487D+02
      4   0.747769D+01  0.146263D+02 -0.205702D+02 -0.124002D+01 -0.267484D+01
      5  -0.161925D+02 -0.103681D+02  0.146772D+02  0.149018D+02 -0.773608D+01
      6  -0.374260D+02  0.266866D+03 -0.397493D+03  0.107941D+02 -0.620519D+01
                36            37            38            39            40 
      1   0.243398D+02  0.439540D+01 -0.617460D+00 -0.203519D+01 -0.359538D+01
      2  -0.587059D+02 -0.587151D+01  0.474110D+01  0.222646D+00  0.176612D+01
      3   0.343662D+02  0.147611D+01 -0.412364D+01  0.181255D+01  0.182927D+01
      4   0.538269D+01  0.842324D-01 -0.260656D+01 -0.100751D+01  0.835943D+01
      5   0.416820D+01 -0.204062D+01  0.641264D+01 -0.106350D+01 -0.331688D+01
      6   0.117589D+03  0.504124D+01 -0.434896D+01 -0.778013D+01 -0.617182D+01
                41            42            43            44            45 
      1   0.142459D+02 -0.162545D+02 -0.174189D+01 -0.339963D+02 -0.183558D+02
      2  -0.672904D+01  0.626114D+01 -0.437199D+01  0.758831D+02 -0.364206D+02
      3  -0.751683D+01  0.999331D+01  0.611388D+01 -0.418868D+02  0.547765D+02
      4   0.229363D+01 -0.381251D+01 -0.338698D+01 -0.447371D+01 -0.554429D+01
      5  -0.270058D+01  0.248646D+01 -0.774532D+01  0.306612D+01  0.638446D+01
      6   0.455650D+02 -0.605576D+02 -0.609790D+01 -0.572245D+02 -0.120380D+03
                46            47            48            49            50 
      1   0.632519D+01  0.189317D+01 -0.814259D+01  0.219387D+01 -0.247875D+02
      2  -0.248775D+02 -0.903941D+01 -0.472879D+01 -0.118244D+02  0.101406D+03
      3   0.185524D+02  0.714623D+01  0.128714D+02  0.963055D+01 -0.766181D+02
      4  -0.517638D+00  0.627259D+01  0.260946D+02 -0.113869D+02 -0.515167D+01
      5  -0.541015D+01  0.887295D+01  0.563240D+02 -0.162233D+02 -0.123252D+01
      6   0.236646D+02 -0.212207D+01  0.169572D+02  0.698341D+01  0.429247D+02
                51            52            53            54            55 
      1   0.182393D+02 -0.574945D+00 -0.302784D+02  0.910986D+01  0.574997D+00
      2   0.985663D+02 -0.380578D+01  0.537609D+02  0.243796D+01 -0.170138D+01
      3  -0.116806D+03  0.438073D+01 -0.234825D+02 -0.115478D+02  0.112638D+01
      4   0.443206D+01  0.119880D+00 -0.306830D+01  0.556326D+01  0.375826D+00
      5   0.117326D+02  0.118950D+02 -0.347755D+01  0.636633D+01  0.587462D+00
      6  -0.164557D+03  0.422425D+01  0.441899D+02 -0.673576D+02 -0.499393D+01
                56            57            58            59            60 
      1   0.426630D+00  0.140633D+01  0.512395D-01 -0.192431D+01  0.464949D+01
      2  -0.393242D+00  0.184222D+01 -0.126244D+01 -0.131875D+02  0.205285D+02
      3  -0.333887D-01 -0.324854D+01  0.121120D+01  0.151118D+02 -0.251780D+02
      4  -0.514324D+00 -0.301896D+01  0.316495D+00  0.692273D+00 -0.100797D+01
      5  -0.323497D+01 -0.398445D+01 -0.400630D+01 -0.610852D+00  0.146137D+01
      6  -0.964851D+00 -0.957886D+00 -0.728500D+00 -0.612525D+01  0.346916D+01
                61            62            63            64            65 
      1   0.347672D+00  0.134433D+01 -0.185342D+02 -0.309404D+01 -0.558666D+01
      2   0.259006D+01  0.117619D+02 -0.420143D+02 -0.601928D+01  0.327966D+00
      3  -0.293773D+01 -0.131063D+02  0.605485D+02  0.911331D+01  0.525869D+01
      4   0.975601D+00 -0.584996D+00  0.245504D+00 -0.800223D+01  0.315106D+02
      5   0.732182D+01  0.460261D+00 -0.447296D+01 -0.881128D+01  0.292524D+02
      6  -0.868071D+00  0.765548D+01  0.605890D+01  0.475229D+02  0.524413D+01
                66            67            68            69            70 
      1  -0.782317D+01  0.458519D+00  0.107907D+02 -0.365270D+02 -0.578042D+01
      2   0.397712D+01  0.680976D+01 -0.767052D+02 -0.567802D+02 -0.409297D+01
      3   0.384605D+01 -0.726827D+01  0.659145D+02  0.933073D+02  0.987339D+01
      4   0.371729D+02  0.705992D+01  0.354619D+01 -0.530303D+01  0.295325D+02
      5   0.470878D+02  0.681995D+01  0.116783D+01 -0.864173D+01  0.279616D+02
      6   0.420005D+01 -0.886512D+01  0.825874D+01  0.201866D+03  0.875461D+01
                71            72            73            74            75 
      1  -0.256427D+02  0.119487D+02 -0.134810D+01  0.425839D+01  0.570509D+01
      2   0.103263D+03  0.350591D+02  0.415138D+00 -0.999282D+00 -0.465475D-01
      3  -0.776199D+02 -0.470078D+02  0.932964D+00 -0.325911D+01 -0.565854D+01
      4  -0.204344D+01  0.691065D+01 -0.994032D+00  0.733975D+00 -0.371683D+00
      5   0.280623D+01  0.973181D+01 -0.117412D+01  0.387890D+00  0.802417D-01
      6   0.467157D+02 -0.797663D+02 -0.276762D-01 -0.870066D+01 -0.111889D+02
                76            77            78            79            80 
      1   0.240203D+01 -0.315899D+02 -0.311712D+02  0.375433D+01 -0.372099D+02
      2  -0.148874D+01  0.207576D+02  0.160061D+02  0.120405D+01  0.398720D+01
      3  -0.913285D+00  0.108322D+02  0.151651D+02 -0.495838D+01  0.332227D+02
      4   0.561913D+01 -0.501890D+01 -0.484472D+01  0.709267D+01 -0.520410D+01
      5   0.460197D+01 -0.480379D+01 -0.491804D+01  0.957127D+01 -0.670362D+01
      6  -0.591056D+01  0.596621D+02  0.593190D+02 -0.944867D+01  0.718257D+02
                81            82            83            84            85 
      1  -0.579249D+02 -0.266262D+01 -0.555079D+01  0.370764D+01  0.180970D+01
      2  -0.122347D+02  0.345320D+02  0.750272D+01  0.749418D+00 -0.809667D+00
      3   0.701595D+02 -0.318694D+02 -0.195193D+01 -0.445705D+01 -0.100003D+01
      4  -0.754981D+01 -0.588434D+01  0.689040D+02  0.257727D+02  0.282017D+02
      5  -0.115580D+02 -0.300801D+00  0.245128D+02  0.738262D+01  0.100208D+02
      6   0.109050D+03  0.296059D+02 -0.248604D+01 -0.171659D+02 -0.102525D+02
                86            87            88            89            90 
      1  -0.279870D+02 -0.508385D+02  0.795182D+01 -0.796575D+01 -0.515107D+02
      2   0.334325D+02  0.447107D+02  0.938817D+00 -0.452982D+02  0.148046D+02
      3  -0.544554D+01  0.612774D+01 -0.889063D+01  0.532639D+02  0.367061D+02
      4  -0.226135D+01 -0.730345D+01 -0.182631D+02  0.130045D+01 -0.107293D+02
      5  -0.348700D+01 -0.707828D+01 -0.228067D+02 -0.293907D+01 -0.118582D+02
      6   0.108122D+03  0.152059D+03 -0.157356D+02  0.570004D+02  0.213451D+03
                91            92            93            94            95 
      1  -0.470986D+00  0.232578D+01  0.785059D+00  0.136364D+01 -0.561809D+02
      2   0.127948D+01 -0.490906D+01 -0.105668D+01 -0.569690D+01  0.146035D+03
      3  -0.808494D+00  0.258327D+01  0.271625D+00  0.433326D+01 -0.898546D+02
      4  -0.163963D+00 -0.169347D+01 -0.487553D+01  0.112324D+02 -0.843165D+01
      5   0.154479D+00 -0.152282D+01 -0.533276D+00  0.235305D+01 -0.298609D+00
      6  -0.347370D+01 -0.265243D+01 -0.117542D+01 -0.818341D+00  0.329674D+02
                96            97            98            99           100 
      1  -0.171632D+01 -0.220954D-01  0.791131D+01 -0.539169D+01  0.143880D+02
      2   0.532600D+01  0.837679D+00 -0.333490D+02  0.859710D+01  0.155608D+01
      3  -0.360967D+01 -0.815584D+00  0.254377D+02 -0.320541D+01 -0.159441D+02
      4   0.133966D-01 -0.238639D+01  0.454332D+00 -0.116781D+01  0.201523D+01
      5   0.785165D-02  0.884493D+00 -0.118021D+01 -0.387967D+00 -0.111686D+00
      6   0.183578D+01 -0.115736D+01  0.120524D+02  0.629956D+01 -0.123379D+02
               101           102           103           104           105 
      1  -0.611179D+01 -0.970295D+01 -0.192642D+01  0.312454D+02  0.370496D+02
      2   0.672338D+01  0.827288D+01  0.561244D+01 -0.499388D+02 -0.689439D+02
      3  -0.611585D+00  0.143007D+01 -0.368602D+01  0.186933D+02  0.318943D+02
      4   0.606885D+01 -0.130085D+02 -0.106925D+02  0.730396D+01  0.563970D+01
      5   0.206319D+01  0.257971D+01 -0.112802D+01  0.398488D+01  0.452103D+01
      6   0.150581D+02  0.299505D+02  0.874486D+01 -0.103438D+03 -0.950261D+02
               106           107           108           109           110 
      1  -0.735027D+01  0.392076D+02  0.514128D+02  0.131014D+02  0.907344D+00
      2   0.639367D+01 -0.383277D+02 -0.541483D+02  0.434206D+01 -0.286778D+01
      3   0.956602D+00 -0.879898D+00  0.273552D+01 -0.174435D+02  0.196043D+01
      4   0.715851D+01  0.782991D+01  0.101972D+02  0.341046D+01  0.103259D+02
      5   0.201322D+02  0.774138D+01  0.124553D+02  0.268126D+01 -0.634465D+01
      6   0.187928D+02 -0.141915D+03 -0.263913D+03 -0.157932D+02 -0.342270D+00
               111           112           113           114           115 
      1  -0.426407D+01  0.918596D+01 -0.595900D+02 -0.102630D+03  0.357128D+01
      2   0.204042D+01 -0.935495D+01  0.555597D+02  0.113594D+03 -0.253358D+01
      3   0.222364D+01  0.168983D+00  0.403028D+01 -0.109642D+02 -0.103770D+01
      4  -0.202965D+02 -0.505884D+01 -0.141980D+02 -0.167829D+02 -0.205378D+02
      5  -0.243039D+01 -0.127196D+02 -0.108925D+02 -0.180959D+02 -0.188759D+02
      6   0.944479D+01 -0.300844D+02  0.259998D+03  0.374072D+03 -0.686011D+01
               116           117           118           119           120 
      1  -0.234559D+02 -0.107406D+02 -0.121714D+01  0.147071D+01  0.320088D+01
      2   0.169256D+02  0.310671D+02  0.337828D+01  0.120494D+01 -0.227855D+01
      3   0.653031D+01 -0.203265D+02 -0.216115D+01 -0.267565D+01 -0.922331D+00
      4  -0.470236D+00 -0.265321D+01  0.530580D+00  0.744496D+01 -0.187216D+01
      5  -0.459848D+01 -0.596928D+01 -0.388389D+00 -0.162549D+01  0.298049D+01
      6   0.599733D+02  0.140165D+03 -0.218056D+01 -0.475942D+01 -0.666255D+01
               121           122           123           124           125 
      1  -0.340218D+00 -0.130807D+02  0.104258D+02  0.524409D+00  0.438134D+01
      2   0.157366D+01  0.397681D+02 -0.275274D+02 -0.808781D+00 -0.146991D+02
      3  -0.123345D+01 -0.266874D+02  0.171016D+02  0.284372D+00  0.103177D+02
      4   0.775936D+01  0.308747D+01 -0.132452D+01 -0.362497D+01 -0.200736D+01
      5  -0.260422D+01  0.402136D+00 -0.410751D+00  0.206561D+01 -0.564098D+00
      6  -0.639953D+00 -0.355894D+02  0.295473D+02 -0.840203D+00  0.339099D+02
               126           127           128           129           130 
      1  -0.147893D+02 -0.201975D+02  0.142652D+02  0.378807D+02  0.561979D+01
      2   0.157440D+02  0.187302D+02 -0.256622D+02 -0.379791D+02 -0.494923D+01
      3  -0.954779D+00  0.146724D+01  0.113969D+02  0.983131D-01 -0.670564D+00
      4   0.610644D+00 -0.102283D+02  0.712188D+01  0.806546D+01  0.183989D+01
      5  -0.590662D+00  0.316016D+02 -0.168975D+02 -0.167870D+02 -0.104313D+02
      6  -0.111610D+02  0.137840D+02 -0.236197D+02 -0.252850D+02 -0.116099D+02
               131           132           133           134           135 
      1   0.483362D+00 -0.225987D+02  0.982207D+01 -0.170158D+02 -0.187119D+02
      2   0.714696D+01  0.126042D+02 -0.834794D+01  0.868673D+01  0.507929D+02
      3  -0.763032D+01  0.999441D+01 -0.147413D+01  0.832911D+01 -0.320810D+02
      4  -0.454559D+00 -0.725787D+01 -0.842390D+00 -0.483399D+01 -0.578637D+01
      5  -0.907905D+00  0.629953D+01 -0.107962D+02  0.758311D+01  0.253030D+01
      6   0.779643D+01  0.274469D+02 -0.160443D+02  0.316478D+02  0.114552D+03
               136           137           138           139           140 
      1   0.396338D+02 -0.128282D+02 -0.230771D+02 -0.316370D+01  0.520147D+01
      2  -0.261933D+02  0.161454D+02  0.353908D+02  0.271700D+01 -0.335465D+01
      3  -0.134405D+02 -0.331716D+01 -0.123137D+02  0.446706D+00 -0.184682D+01
      4   0.967288D+01  0.358304D-01 -0.752265D+01  0.516759D+01 -0.359500D-02
      5  -0.311921D+02  0.902521D+01  0.234280D+02  0.328749D+01 -0.413282D+01
      6  -0.141975D+02  0.328443D+01  0.401525D+02 -0.203712D+01 -0.218949D+01
               141           142           143           144           145 
      1   0.417182D+01  0.870623D+00 -0.634584D+00  0.590348D+01 -0.764154D+01
      2  -0.134611D+01  0.521761D+01  0.156312D+01 -0.130872D+02 -0.597063D+01
      3  -0.282571D+01 -0.608824D+01 -0.928532D+00  0.718370D+01  0.136122D+02
      4  -0.204372D+01  0.808987D-02  0.584244D+00  0.274533D+01  0.187502D+02
      5  -0.181691D+01  0.787193D+01 -0.174300D+01 -0.709067D+01 -0.408544D+02
      6   0.697679D+01  0.403514D+01 -0.389607D+01 -0.270826D+02  0.139261D+02
               146           147           148           149           150 
      1   0.373152D+01 -0.130989D+02  0.439915D+01  0.592384D+01  0.102062D+02
      2  -0.677643D+01 -0.388957D+01 -0.960431D+01 -0.185094D+02  0.322823D+02
      3   0.304492D+01  0.169885D+02  0.520516D+01  0.125856D+02 -0.424885D+02
      4  -0.881915D+01  0.271110D+01 -0.579421D+01 -0.123283D+02  0.135574D+01
      5   0.133884D+02 -0.113686D+01  0.107516D+02  0.144749D+02 -0.169255D+01
      6   0.125245D+02 -0.348059D+00  0.107704D+02  0.404909D+02  0.148357D+01
               151           152           153           154           155 
      1  -0.297404D+01  0.100527D+02 -0.276804D+01  0.112260D+01 -0.257021D+01
      2  -0.469523D+01  0.153607D+02 -0.306468D+01  0.541760D+01  0.993927D+01
      3   0.766927D+01 -0.254134D+02  0.583272D+01 -0.654020D+01 -0.736906D+01
      4  -0.457363D+00  0.835963D+00 -0.491956D+01  0.582111D+01  0.120097D+02
      5   0.288862D+01 -0.170341D+01  0.124950D+02 -0.441910D+01 -0.122513D+02
      6  -0.275840D+01  0.253609D+01 -0.441054D+02 -0.125096D+02 -0.171297D+02
               156           157           158           159           160 
      1   0.553729D+01 -0.294723D+01 -0.162698D+02  0.908935D+01  0.247801D+01
      2   0.382304D+01  0.814818D+01  0.391350D+02 -0.395597D+01  0.250379D+01
      3  -0.936033D+01 -0.520096D+01 -0.228652D+02 -0.513338D+01 -0.498180D+01
      4  -0.392291D+01  0.906594D+01  0.121918D+02 -0.321190D+01 -0.708047D+00
      5   0.539850D+01 -0.860019D+01 -0.119115D+02  0.368415D+01  0.204979D+01
      6   0.826285D+01 -0.114533D+02 -0.554703D+02  0.200450D+02  0.343017D+01
               161           162           163           164           165 
      1   0.497977D+01 -0.524673D+01  0.212796D+02 -0.328925D+01 -0.346634D+01
      2   0.174063D+01  0.414745D+01 -0.523754D+01 -0.282909D+01 -0.102769D+02
      3  -0.672040D+01  0.109928D+01 -0.160421D+02  0.611834D+01  0.137433D+02
      4  -0.919991D+00  0.420630D+01 -0.249413D+02  0.109179D+02 -0.560402D+01
      5   0.174409D+01 -0.656996D+01  0.443326D+02 -0.124230D+02  0.133516D+02
      6   0.124894D+02 -0.616725D+01 -0.164818D+02  0.111140D+02 -0.118038D+02
               166           167           168           169           170 
      1  -0.132641D+01  0.158247D+01 -0.643577D+00 -0.362868D+01 -0.887873D+00
      2  -0.212511D+01  0.424674D+01 -0.526444D+01 -0.412420D+01  0.496683D+00
      3   0.345152D+01 -0.582921D+01  0.590801D+01  0.775288D+01  0.391190D+00
      4   0.744983D+01 -0.464420D+01  0.224312D+01  0.308373D+00 -0.181764D+00
      5  -0.580184D+01  0.696822D+01 -0.305137D+01  0.494114D+01 -0.891369D+00
      6   0.714347D+01 -0.906897D+01  0.289183D+01 -0.337657D+01  0.137095D+01
               171           172           173           174           175 
      1   0.168851D+01 -0.785193D+01 -0.656417D+01  0.239363D+02 -0.303716D+01
      2  -0.159645D+01  0.167027D+02 -0.141027D+01  0.167368D+02 -0.324334D+00
      3  -0.920644D-01 -0.885081D+01  0.797444D+01 -0.406731D+02  0.336149D+01
      4  -0.398127D+01 -0.911635D+01  0.219501D+00  0.383451D+01  0.693365D-01
      5   0.787878D+01  0.645069D+02  0.418008D+01 -0.182872D+02 -0.241803D+01
      6   0.448976D+01  0.536618D+01 -0.184325D+02  0.157393D+02 -0.161142D+02
               176           177           178           179           180 
      1   0.505059D+01 -0.328595D+02  0.109988D+02 -0.247857D+02  0.237272D+02
      2   0.389280D+01 -0.391790D+02  0.108030D+02 -0.299517D+02  0.103701D+02
      3  -0.894338D+01  0.720386D+02 -0.218018D+02  0.547375D+02 -0.340973D+02
      4   0.353351D+01 -0.291299D+01  0.113370D+01 -0.111672D+01  0.526873D+01
      5  -0.171888D+02  0.564033D+01 -0.749251D+01  0.382076D+01 -0.256230D+02
      6  -0.146335D+02 -0.205625D+02  0.746762D+01 -0.165023D+02  0.604877D+02
               181           182           183           184           185 
      1   0.196674D+02  0.187430D+01  0.141712D+01 -0.256279D+00  0.114365D+01
      2  -0.270457D+02  0.591590D+00  0.203160D+02  0.161173D+01 -0.248688D+01
      3   0.737828D+01 -0.246589D+01 -0.217331D+02 -0.135545D+01  0.134323D+01
      4   0.124207D+02  0.532234D+01 -0.549237D+01  0.601928D+01  0.173476D+01
      5  -0.758502D+02 -0.837753D+01  0.352125D+02  0.135138D+01 -0.813895D+01
      6  -0.944696D+01 -0.117052D+02  0.451424D+01 -0.830679D+01  0.840144D+00
               186           187           188           189           190 
      1   0.397870D+01  0.363290D+01  0.388592D+01 -0.287941D+01 -0.562466D+01
      2   0.251133D+01  0.854305D+01  0.408471D+01 -0.965717D+01 -0.107174D+02
      3  -0.649003D+01 -0.121759D+02 -0.797063D+01  0.125366D+02  0.163421D+02
      4  -0.184068D+01 -0.478894D+00 -0.408250D+00  0.148809D+01 -0.183950D+01
      5   0.228102D-01  0.119175D+02  0.497858D+00 -0.154387D+02  0.464576D+01
      6   0.850288D+01  0.197805D+01  0.437641D+01 -0.896572D+01 -0.107793D+02
               191           192           193           194           195 
      1   0.513663D+01 -0.162102D+02  0.284433D+01 -0.188418D+02  0.290982D+02
      2   0.314570D+01 -0.187063D+02  0.864386D+00 -0.850413D+01  0.220713D+02
      3  -0.828233D+01  0.349166D+02 -0.370872D+01  0.273460D+02 -0.511695D+02
      4   0.340590D+01 -0.580765D+01  0.308947D+01 -0.189333D+01  0.163898D+01
      5  -0.908424D+01  0.246918D+02 -0.621116D+01  0.776990D+01 -0.502992D+01
      6   0.130247D+02 -0.173158D+02  0.807966D+01 -0.322912D+02  0.473514D+02
               196           197           198           199           200 
      1  -0.730946D+01  0.214723D+02 -0.629508D+02 -0.785193D+01 -0.656417D+01
      2  -0.723132D+01  0.182000D+02 -0.644172D+02  0.167027D+02 -0.141027D+01
      3   0.145408D+02 -0.396724D+02  0.127368D+03 -0.885081D+01  0.797444D+01
      4  -0.280561D+01  0.113819D+01 -0.316455D+01 -0.911635D+01  0.219501D+00
      5   0.137280D+02 -0.386062D+01  0.166023D+02 -0.645069D+02 -0.418008D+01
      6  -0.655969D+01  0.337196D+02 -0.658521D+02 -0.536618D+01  0.184325D+02
               201           202           203           204           205 
      1  -0.239363D+02 -0.303716D+01  0.505059D+01  0.328595D+02 -0.109988D+02
      2  -0.167368D+02 -0.324334D+00  0.389280D+01  0.391790D+02 -0.108030D+02
      3   0.406731D+02  0.336149D+01 -0.894338D+01 -0.720386D+02  0.218018D+02
      4  -0.383451D+01  0.693365D-01  0.353351D+01  0.291299D+01 -0.113370D+01
      5  -0.182872D+02  0.241803D+01  0.171888D+02  0.564033D+01 -0.749251D+01
      6   0.157393D+02  0.161142D+02  0.146335D+02 -0.205625D+02  0.746762D+01
               206           207           208           209           210 
      1   0.247857D+02  0.237272D+02 -0.562466D+01  0.513663D+01  0.162102D+02
      2   0.299517D+02  0.103701D+02 -0.107174D+02  0.314570D+01  0.187063D+02
      3  -0.547375D+02 -0.340973D+02  0.163421D+02 -0.828233D+01 -0.349166D+02
      4   0.111672D+01  0.526873D+01 -0.183950D+01  0.340590D+01  0.580765D+01
      5   0.382076D+01  0.256230D+02 -0.464576D+01  0.908424D+01  0.246918D+02
      6  -0.165023D+02 -0.604877D+02  0.107793D+02 -0.130247D+02 -0.173158D+02
               211           212           213           214           215 
      1   0.284433D+01 -0.188418D+02 -0.290982D+02  0.730946D+01 -0.214723D+02
      2   0.864386D+00 -0.850413D+01 -0.220713D+02  0.723132D+01 -0.182000D+02
      3  -0.370872D+01  0.273460D+02  0.511695D+02 -0.145408D+02  0.396724D+02
      4   0.308947D+01 -0.189333D+01 -0.163898D+01  0.280561D+01 -0.113819D+01
      5   0.621116D+01 -0.776990D+01 -0.502992D+01  0.137280D+02 -0.386062D+01
      6  -0.807966D+01  0.322912D+02  0.473514D+02 -0.655969D+01  0.337196D+02
               216           217           218           219           220 
      1  -0.629508D+02  0.196674D+02  0.187430D+01 -0.141712D+01 -0.256279D+00
      2  -0.644172D+02 -0.270457D+02  0.591590D+00 -0.203160D+02  0.161173D+01
      3   0.127368D+03  0.737828D+01 -0.246589D+01  0.217331D+02 -0.135545D+01
      4  -0.316455D+01  0.124207D+02  0.532234D+01  0.549237D+01  0.601928D+01
      5  -0.166023D+02  0.758502D+02  0.837753D+01  0.352125D+02 -0.135138D+01
      6   0.658521D+02  0.944696D+01  0.117052D+02  0.451424D+01  0.830679D+01
               221           222           223           224           225 
      1   0.114365D+01 -0.397870D+01 -0.363290D+01 -0.388592D+01 -0.287941D+01
      2  -0.248688D+01 -0.251133D+01 -0.854305D+01 -0.408471D+01 -0.965717D+01
      3   0.134323D+01  0.649003D+01  0.121759D+02  0.797063D+01  0.125366D+02
      4   0.173476D+01  0.184068D+01  0.478894D+00  0.408250D+00  0.148809D+01
      5   0.813895D+01  0.228102D-01  0.119175D+02  0.497858D+00  0.154387D+02
      6  -0.840144D+00  0.850288D+01  0.197805D+01  0.437641D+01  0.896572D+01
               226           227           228           229           230 
      1  -0.764154D+01  0.373152D+01  0.130989D+02  0.439915D+01  0.592384D+01
      2  -0.597063D+01 -0.677643D+01  0.388957D+01 -0.960431D+01 -0.185094D+02
      3   0.136122D+02  0.304492D+01 -0.169885D+02  0.520516D+01  0.125856D+02
      4   0.187502D+02 -0.881915D+01 -0.271110D+01 -0.579421D+01 -0.123283D+02
      5   0.408544D+02 -0.133884D+02 -0.113686D+01 -0.107516D+02 -0.144749D+02
      6  -0.139261D+02 -0.125245D+02 -0.348059D+00 -0.107704D+02 -0.404909D+02
               231           232           233           234           235 
      1  -0.102062D+02  0.297404D+01 -0.100527D+02 -0.276804D+01  0.212796D+02
      2  -0.322823D+02  0.469523D+01 -0.153607D+02 -0.306468D+01 -0.523754D+01
      3   0.424885D+02 -0.766927D+01  0.254134D+02  0.583272D+01 -0.160421D+02
      4  -0.135574D+01  0.457363D+00 -0.835963D+00 -0.491956D+01 -0.249413D+02
      5  -0.169255D+01  0.288862D+01 -0.170341D+01 -0.124950D+02 -0.443326D+02
      6   0.148357D+01 -0.275840D+01  0.253609D+01  0.441054D+02  0.164818D+02
               236           237           238           239           240 
      1  -0.328925D+01  0.346634D+01 -0.132641D+01  0.158247D+01  0.643577D+00
      2  -0.282909D+01  0.102769D+02 -0.212511D+01  0.424674D+01  0.526444D+01
      3   0.611834D+01 -0.137433D+02  0.345152D+01 -0.582921D+01 -0.590801D+01
      4   0.109179D+02  0.560402D+01  0.744983D+01 -0.464420D+01 -0.224312D+01
      5   0.124230D+02  0.133516D+02  0.580184D+01 -0.696822D+01 -0.305137D+01
      6  -0.111140D+02 -0.118038D+02 -0.714347D+01  0.906897D+01  0.289183D+01
               241           242           243           244           245 
      1   0.362868D+01  0.887873D+00  0.168851D+01  0.112260D+01 -0.257021D+01
      2   0.412420D+01 -0.496683D+00 -0.159645D+01  0.541760D+01  0.993927D+01
      3  -0.775288D+01 -0.391190D+00 -0.920644D-01 -0.654020D+01 -0.736906D+01
      4  -0.308373D+00  0.181764D+00 -0.398127D+01  0.582111D+01  0.120097D+02
      5   0.494114D+01 -0.891369D+00 -0.787878D+01  0.441910D+01  0.122513D+02
      6  -0.337657D+01  0.137095D+01 -0.448976D+01  0.125096D+02  0.171297D+02
               246           247           248           249           250 
      1  -0.553729D+01 -0.294723D+01 -0.162698D+02 -0.908935D+01 -0.247801D+01
      2  -0.382304D+01  0.814818D+01  0.391350D+02  0.395597D+01 -0.250379D+01
      3   0.936033D+01 -0.520096D+01 -0.228652D+02  0.513338D+01  0.498180D+01
      4   0.392291D+01  0.906594D+01  0.121918D+02  0.321190D+01  0.708047D+00
      5   0.539850D+01  0.860019D+01  0.119115D+02  0.368415D+01  0.204979D+01
      6   0.826285D+01  0.114533D+02  0.554703D+02  0.200450D+02  0.343017D+01
               251           252           253           254           255 
      1  -0.497977D+01 -0.524673D+01 -0.201975D+02  0.142652D+02 -0.378807D+02
      2  -0.174063D+01  0.414745D+01  0.187302D+02 -0.256622D+02  0.379791D+02
      3   0.672040D+01  0.109928D+01  0.146724D+01  0.113969D+02 -0.983132D-01
      4   0.919991D+00  0.420630D+01 -0.102283D+02  0.712188D+01 -0.806546D+01
      5   0.174409D+01  0.656996D+01 -0.316016D+02  0.168975D+02 -0.167870D+02
      6   0.124894D+02  0.616725D+01 -0.137840D+02  0.236197D+02 -0.252850D+02
               256           257           258           259           260 
      1   0.561979D+01  0.483362D+00  0.225987D+02 -0.982207D+01  0.170158D+02
      2  -0.494923D+01  0.714696D+01 -0.126042D+02  0.834794D+01 -0.868673D+01
      3  -0.670564D+00 -0.763032D+01 -0.999441D+01  0.147413D+01 -0.832911D+01
      4   0.183989D+01 -0.454559D+00  0.725787D+01  0.842390D+00  0.483399D+01
      5   0.104313D+02  0.907905D+00  0.629953D+01 -0.107962D+02  0.758311D+01
      6   0.116099D+02 -0.779643D+01  0.274469D+02 -0.160443D+02  0.316478D+02
               261           262           263           264           265 
      1  -0.187119D+02  0.396338D+02 -0.128282D+02  0.230771D+02 -0.316370D+01
      2   0.507929D+02 -0.261933D+02  0.161454D+02 -0.353908D+02  0.271700D+01
      3  -0.320810D+02 -0.134405D+02 -0.331716D+01  0.123137D+02  0.446706D+00
      4  -0.578637D+01  0.967288D+01  0.358304D-01  0.752265D+01  0.516759D+01
      5  -0.253030D+01  0.311921D+02 -0.902521D+01  0.234280D+02 -0.328749D+01
      6  -0.114552D+03  0.141975D+02 -0.328443D+01  0.401525D+02  0.203712D+01
               266           267           268           269           270 
      1   0.520147D+01 -0.417182D+01 -0.870623D+00  0.634584D+00  0.590348D+01
      2  -0.335465D+01  0.134611D+01 -0.521761D+01 -0.156312D+01 -0.130872D+02
      3  -0.184682D+01  0.282571D+01  0.608824D+01  0.928532D+00  0.718370D+01
      4  -0.359500D-02  0.204372D+01 -0.808989D-02 -0.584244D+00  0.274533D+01
      5   0.413282D+01 -0.181691D+01  0.787193D+01 -0.174300D+01  0.709067D+01
      6   0.218949D+01  0.697679D+01  0.403514D+01 -0.389607D+01  0.270826D+02
               271           272           273           274           275 
      1   0.131014D+02  0.907344D+00  0.426406D+01  0.918596D+01 -0.595900D+02
      2   0.434206D+01 -0.286778D+01 -0.204042D+01 -0.935495D+01  0.555597D+02
      3  -0.174435D+02  0.196043D+01 -0.222364D+01  0.168983D+00  0.403028D+01
      4   0.341046D+01  0.103259D+02  0.202965D+02 -0.505884D+01 -0.141980D+02
      5  -0.268126D+01  0.634465D+01 -0.243039D+01  0.127196D+02  0.108925D+02
      6   0.157932D+02  0.342270D+00  0.944479D+01  0.300844D+02 -0.259998D+03
               276           277           278           279           280 
      1   0.102630D+03 -0.357128D+01  0.234559D+02 -0.107406D+02 -0.121714D+01
      2  -0.113594D+03  0.253358D+01 -0.169256D+02  0.310671D+02  0.337828D+01
      3   0.109642D+02  0.103770D+01 -0.653031D+01 -0.203265D+02 -0.216115D+01
      4   0.167829D+02  0.205378D+02  0.470236D+00 -0.265321D+01  0.530580D+00
      5  -0.180959D+02 -0.188759D+02 -0.459848D+01  0.596928D+01  0.388389D+00
      6   0.374072D+03 -0.686011D+01  0.599733D+02 -0.140165D+03  0.218056D+01
               281           282           283           284           285 
      1   0.147071D+01 -0.320088D+01 -0.340218D+00 -0.130807D+02 -0.104258D+02
      2   0.120494D+01  0.227855D+01  0.157366D+01  0.397681D+02  0.275274D+02
      3  -0.267565D+01  0.922331D+00 -0.123345D+01 -0.266874D+02 -0.171016D+02
      4   0.744496D+01  0.187216D+01  0.775936D+01  0.308747D+01  0.132452D+01
      5   0.162549D+01  0.298049D+01  0.260422D+01 -0.402136D+00 -0.410751D+00
      6   0.475942D+01 -0.666255D+01  0.639953D+00  0.355894D+02  0.295473D+02
               286           287           288           289           290 
      1  -0.524409D+00 -0.438134D+01 -0.147893D+02  0.143880D+02 -0.611179D+01
      2   0.808781D+00  0.146991D+02  0.157440D+02  0.155608D+01  0.672338D+01
      3  -0.284372D+00 -0.103177D+02 -0.954779D+00 -0.159441D+02 -0.611585D+00
      4   0.362497D+01  0.200736D+01  0.610644D+00  0.201523D+01  0.606885D+01
      5   0.206561D+01 -0.564098D+00  0.590662D+00  0.111686D+00 -0.206319D+01
      6  -0.840203D+00  0.339099D+02  0.111610D+02  0.123379D+02 -0.150581D+02
               291           292           293           294           295 
      1   0.970295D+01 -0.192642D+01  0.312454D+02 -0.370496D+02  0.735027D+01
      2  -0.827288D+01  0.561244D+01 -0.499388D+02  0.689439D+02 -0.639367D+01
      3  -0.143007D+01 -0.368602D+01  0.186933D+02 -0.318943D+02 -0.956602D+00
      4   0.130085D+02 -0.106925D+02  0.730396D+01 -0.563970D+01 -0.715851D+01
      5   0.257971D+01  0.112802D+01 -0.398488D+01  0.452103D+01  0.201322D+02
      6   0.299505D+02 -0.874486D+01  0.103438D+03 -0.950261D+02  0.187928D+02
               296           297           298           299           300 
      1  -0.392076D+02  0.514128D+02 -0.266263D+01 -0.555079D+01 -0.370764D+01
      2   0.383277D+02 -0.541483D+02  0.345320D+02  0.750272D+01 -0.749418D+00
      3   0.879898D+00  0.273552D+01 -0.318694D+02 -0.195193D+01  0.445705D+01
      4  -0.782991D+01  0.101972D+02 -0.588434D+01  0.689040D+02 -0.257727D+02
      5   0.774138D+01 -0.124553D+02  0.300801D+00 -0.245128D+02  0.738262D+01
      6  -0.141915D+03  0.263913D+03 -0.296059D+02  0.248604D+01 -0.171659D+02
               301           302           303           304           305 
      1   0.180970D+01 -0.279870D+02  0.508385D+02 -0.795182D+01  0.796575D+01
      2  -0.809667D+00  0.334325D+02 -0.447107D+02 -0.938817D+00  0.452982D+02
      3  -0.100003D+01 -0.544554D+01 -0.612774D+01  0.889063D+01 -0.532639D+02
      4   0.282017D+02 -0.226135D+01  0.730345D+01  0.182631D+02 -0.130045D+01
      5  -0.100208D+02  0.348700D+01 -0.707828D+01 -0.228067D+02 -0.293907D+01
      6   0.102525D+02 -0.108122D+03  0.152059D+03 -0.157356D+02  0.570004D+02
               306           307           308           309           310 
      1  -0.515107D+02 -0.470986D+00  0.232578D+01 -0.785059D+00  0.136364D+01
      2   0.148046D+02  0.127948D+01 -0.490906D+01  0.105668D+01 -0.569690D+01
      3   0.367061D+02 -0.808494D+00  0.258327D+01 -0.271625D+00  0.433326D+01
      4  -0.107293D+02 -0.163963D+00 -0.169347D+01  0.487553D+01  0.112324D+02
      5   0.118582D+02 -0.154479D+00  0.152282D+01 -0.533276D+00 -0.235305D+01
      6  -0.213451D+03  0.347370D+01  0.265243D+01 -0.117542D+01  0.818341D+00
               311           312           313           314           315 
      1  -0.561809D+02  0.171632D+01  0.220954D-01 -0.791131D+01 -0.539169D+01
      2   0.146035D+03 -0.532600D+01 -0.837679D+00  0.333490D+02  0.859710D+01
      3  -0.898546D+02  0.360967D+01  0.815584D+00 -0.254377D+02 -0.320541D+01
      4  -0.843165D+01 -0.133966D-01  0.238639D+01 -0.454332D+00 -0.116781D+01
      5   0.298609D+00  0.785164D-02  0.884493D+00 -0.118021D+01  0.387967D+00
      6  -0.329674D+02  0.183578D+01 -0.115736D+01  0.120524D+02 -0.629956D+01
               316           317           318           319           320 
      1  -0.309404D+01 -0.558666D+01  0.782317D+01  0.458519D+00  0.107907D+02
      2  -0.601928D+01  0.327967D+00 -0.397712D+01  0.680976D+01 -0.767052D+02
      3   0.911331D+01  0.525869D+01 -0.384605D+01 -0.726827D+01  0.659145D+02
      4  -0.800223D+01  0.315106D+02 -0.371729D+02  0.705992D+01  0.354619D+01
      5   0.881128D+01 -0.292524D+02  0.470878D+02 -0.681995D+01 -0.116783D+01
      6  -0.475229D+02 -0.524413D+01  0.420005D+01  0.886512D+01 -0.825874D+01
               321           322           323           324           325 
      1   0.365270D+02  0.578042D+01  0.256427D+02  0.119487D+02 -0.134810D+01
      2   0.567802D+02  0.409297D+01 -0.103263D+03  0.350591D+02  0.415137D+00
      3  -0.933073D+02 -0.987339D+01  0.776199D+02 -0.470078D+02  0.932964D+00
      4   0.530303D+01 -0.295325D+02  0.204344D+01  0.691065D+01 -0.994032D+00
      5  -0.864173D+01  0.279616D+02  0.280623D+01 -0.973181D+01  0.117412D+01
      6   0.201866D+03  0.875461D+01  0.467157D+02  0.797663D+02  0.276762D-01
               326           327           328           329           330 
      1   0.425839D+01 -0.570509D+01  0.240203D+01 -0.315899D+02  0.311712D+02
      2  -0.999282D+00  0.465474D-01 -0.148874D+01  0.207576D+02 -0.160061D+02
      3  -0.325911D+01  0.565854D+01 -0.913285D+00  0.108322D+02 -0.151651D+02
      4   0.733975D+00  0.371683D+00  0.561913D+01 -0.501890D+01  0.484472D+01
      5  -0.387890D+00  0.802417D-01 -0.460197D+01  0.480379D+01 -0.491804D+01
      6   0.870066D+01 -0.111889D+02  0.591056D+01 -0.596621D+02  0.593190D+02
               331           332           333           334           335 
      1  -0.375433D+01  0.372099D+02 -0.579249D+02  0.632519D+01  0.189317D+01
      2  -0.120405D+01 -0.398720D+01 -0.122347D+02 -0.248775D+02 -0.903941D+01
      3   0.495838D+01 -0.332227D+02  0.701595D+02  0.185524D+02  0.714623D+01
      4  -0.709267D+01  0.520410D+01 -0.754981D+01 -0.517638D+00  0.627259D+01
      5   0.957127D+01 -0.670362D+01  0.115580D+02  0.541015D+01 -0.887295D+01
      6  -0.944867D+01  0.718257D+02 -0.109050D+03 -0.236646D+02  0.212207D+01
               336           337           338           339           340 
      1   0.814259D+01  0.219387D+01 -0.247875D+02 -0.182393D+02  0.574945D+00
      2   0.472879D+01 -0.118244D+02  0.101406D+03 -0.985663D+02  0.380578D+01
      3  -0.128714D+02  0.963055D+01 -0.766181D+02  0.116806D+03 -0.438073D+01
      4  -0.260946D+02 -0.113869D+02 -0.515167D+01 -0.443206D+01 -0.119880D+00
      5   0.563240D+02  0.162233D+02  0.123252D+01  0.117326D+02  0.118950D+02
      6   0.169572D+02 -0.698341D+01 -0.429247D+02 -0.164557D+03  0.422425D+01
               341           342           343           344           345 
      1   0.302784D+02  0.910986D+01  0.574997D+00  0.426630D+00 -0.140633D+01
      2  -0.537609D+02  0.243796D+01 -0.170138D+01 -0.393242D+00 -0.184222D+01
      3   0.234825D+02 -0.115478D+02  0.112638D+01 -0.333887D-01  0.324854D+01
      4   0.306830D+01  0.556326D+01  0.375827D+00 -0.514324D+00  0.301896D+01
      5  -0.347755D+01 -0.636633D+01 -0.587462D+00  0.323497D+01 -0.398445D+01
      6   0.441899D+02  0.673576D+02  0.499393D+01  0.964851D+00 -0.957886D+00
               346           347           348           349           350 
      1   0.512395D-01 -0.192431D+01 -0.464949D+01 -0.347672D+00 -0.134433D+01
      2  -0.126244D+01 -0.131875D+02 -0.205285D+02 -0.259006D+01 -0.117619D+02
      3   0.121120D+01  0.151118D+02  0.251780D+02  0.293773D+01  0.131063D+02
      4   0.316495D+00  0.692273D+00  0.100797D+01 -0.975601D+00  0.584996D+00
      5   0.400630D+01  0.610852D+00  0.146137D+01  0.732182D+01  0.460261D+00
      6   0.728500D+00  0.612525D+01  0.346916D+01 -0.868071D+00  0.765548D+01
               351 
      1  -0.185342D+02
      2  -0.420143D+02
      3   0.605485D+02
      4   0.245504D+00
      5   0.447296D+01
      6  -0.605890D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.219508D+01      0.557934D+01      0.186107D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z         -0.219508D+01     -0.557934D+01     -0.186107D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.253669D+03      0.375899D+02      0.418244D+02
   aniso      0.183455D+03      0.271853D+02      0.302477D+02
   xx         0.133442D+03      0.197740D+02      0.220016D+02
   yx        -0.865866D+01     -0.128308D+01     -0.142762D+01
   yy         0.296385D+03      0.439197D+02      0.488673D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.331181D+03      0.490760D+02      0.546044D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.273121D+03      0.404724D+02      0.450316D+02
   aniso      0.206072D+03      0.305367D+02      0.339767D+02
   xx         0.142255D+03      0.210800D+02      0.234546D+02
   yx        -0.986754D+01     -0.146222D+01     -0.162694D+01
   yy         0.303721D+03      0.450069D+02      0.500769D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.373387D+03      0.553303D+02      0.615633D+02

 ----------------------------------------------------------------------

 Dipole orientation:
    28          0.00000000         -0.00000000         -1.23304630
     7         -0.15664318         -2.89404942         -3.36279032
     7          0.06639553         -2.37889685          1.39216124
     7         -0.06639553          2.37889685          1.39216124
     7          0.15664318          2.89404942         -3.36279032
     6         -0.32957768         -3.56482471         -5.79546310
     1         -0.36016857         -2.17256710         -7.28293645
     6         -0.46614252         -6.21048475         -6.02064287
     1         -0.61539309         -7.25758578         -7.76094268
     6         -0.37378027         -7.19158898         -3.57424500
     1         -0.43324239         -9.15356312         -3.02723354
     6         -0.18340926         -5.10590771         -1.94816024
     6         -0.00000000         -4.72920025          0.68332686
     1          0.10697740         -6.28452989          2.01950874
     6          0.59831375         -1.32401204          3.87124381
     1          2.65407877         -1.04603900          3.98167751
     6         -0.23525201         -2.81712812          6.18258673
     1          0.63905435         -4.68614662          6.20208870
     1         -2.28281939         -3.10054924          6.11140641
     6          0.50494049         -1.35689895          8.57616675
     1          2.56859890         -1.31301384          8.71803038
     1         -0.17628877         -2.35816466         10.24659582
     6         -0.50494049          1.35689895          8.57616675
     1          0.17628877          2.35816466         10.24659582
     1         -2.56859890          1.31301384          8.71803038
     6          0.23525201          2.81712812          6.18258673
     1          2.28281939          3.10054924          6.11140641
     1         -0.63905435          4.68614662          6.20208870
     6         -0.59831375          1.32401204          3.87124381
     1         -2.65407877          1.04603900          3.98167751
     6         -0.00000000          4.72920025          0.68332686
     1         -0.10697740          6.28452989          2.01950874
     6          0.18340926          5.10590771         -1.94816024
     6          0.37378027          7.19158898         -3.57424500
     1          0.43324239          9.15356312         -3.02723354
     6          0.46614252          6.21048475         -6.02064287
     1          0.61539309          7.25758578         -7.76094268
     6          0.32957768          3.56482471         -5.79546310
     1          0.36016857          2.17256710         -7.28293645

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.219508D+01      0.557934D+01      0.186107D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.219508D+01      0.557934D+01      0.186107D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.253669D+03      0.375899D+02      0.418244D+02
   aniso      0.183455D+03      0.271853D+02      0.302477D+02
   xx         0.133442D+03      0.197740D+02      0.220016D+02
   yx         0.865866D+01      0.128308D+01      0.142762D+01
   yy         0.296385D+03      0.439197D+02      0.488673D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.331181D+03      0.490760D+02      0.546044D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.273121D+03      0.404724D+02      0.450316D+02
   aniso      0.206072D+03      0.305367D+02      0.339767D+02
   xx         0.142255D+03      0.210800D+02      0.234546D+02
   yx         0.986754D+01      0.146222D+01      0.162694D+01
   yy         0.303721D+03      0.450069D+02      0.500769D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.373387D+03      0.553303D+02      0.615633D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-35\Freq\RM11\Gen\C16H18N4Ni1\PIERPA\06-Sep-2021\0\\#P
  M11/Gen Integral=(UltraFineGrid) SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\Ni,0.,0.,0.652
 5\N,-0.082892,1.531465,1.779512\N,0.035135,1.258858,-0.7367\N,-0.03513
 5,-1.258858,-0.7367\N,0.082892,-1.531465,1.779512\C,-0.174405,1.886424
 ,3.066827\H,-0.190593,1.149673,3.853964\C,-0.246672,3.286447,3.185987\
 H,-0.325652,3.840549,4.106914\C,-0.197796,3.805625,1.891409\H,-0.22926
 2,4.843857,1.601943\C,-0.097056,2.70193,1.030922\C,0.,2.502585,-0.3616
 01\H,0.05661,3.32563,-1.068678\C,0.316614,0.700637,-2.048574\H,1.40447
 8,0.55354,-2.107013\C,-0.12449,1.49076,-3.271684\H,0.338173,2.479802,-
 3.282004\H,-1.208016,1.64074,-3.234017\C,0.267203,0.71804,-4.538312\H,
 1.359244,0.694817,-4.613383\H,-0.093288,1.247887,-5.422265\C,-0.267203
 ,-0.71804,-4.538312\H,0.093288,-1.247887,-5.422265\H,-1.359244,-0.6948
 17,-4.613383\C,0.12449,-1.49076,-3.271684\H,1.208016,-1.64074,-3.23401
 7\H,-0.338173,-2.479802,-3.282004\C,-0.316614,-0.700637,-2.048574\H,-1
 .404478,-0.55354,-2.107013\C,0.,-2.502585,-0.361601\H,-0.05661,-3.3256
 3,-1.068678\C,0.097056,-2.70193,1.030922\C,0.197796,-3.805625,1.891409
 \H,0.229262,-4.843857,1.601943\C,0.246672,-3.286447,3.185987\H,0.32565
 2,-3.840549,4.106914\C,0.174405,-1.886424,3.066827\H,0.190593,-1.14967
 3,3.853964\\Version=ES64L-G16RevA.03\State=1-A\HF=-2348.3937412\RMSD=4
 .972e-09\RMSF=9.903e-06\ZeroPoint=0.3198289\Thermal=0.3367628\Dipole=0
 .,0.,-2.195081\DipoleDeriv=0.200184,0.0413882,0.0000002,-0.0284467,0.9
 821008,-0.0000001,0.,0.,0.3747123,-0.1496654,0.0159539,0.0022503,0.047
 9858,-0.7716667,-0.3948685,-0.0052971,-0.3618862,0.13086,-0.1675951,-0
 .1858116,-0.1984948,0.0784243,-0.9763239,-1.1107129,0.0304442,-0.19268
 35,-0.9720868,-0.1675951,-0.1858115,0.1984947,0.0784242,-0.976324,1.11
 07129,-0.0304442,0.1926835,-0.9720868,-0.1496654,0.0159541,-0.0022503,
 0.0479858,-0.7716667,0.3948685,0.0052972,0.3618862,0.1308599,-0.068178
 6,-0.0010521,0.0161328,0.01288,0.1418048,-0.3258643,0.0102004,0.054797
 9,-0.305336,0.1306268,-0.0023477,0.0102365,0.0000338,0.0155457,0.10426
 62,0.0055822,0.0540762,0.0141304,-0.2490526,0.0024739,-0.0153282,-0.04
 71899,-0.0071407,0.5609432,0.0171872,-0.1639453,-0.3924012,0.1656349,0
 .0089799,0.0149189,0.0111109,0.0176201,-0.0756108,0.016333,-0.0898393,
 -0.05151,-0.1655067,-0.0235082,-0.0624035,-0.0184259,0.008076,0.131208
 7,-0.0659849,0.2495262,0.7345405,0.1587266,0.0091007,0.0021359,0.00907
 32,-0.0738033,0.0214163,0.0024115,0.0596436,0.0767992,-0.0783589,0.050
 6412,0.1285924,-0.0065677,0.114085,-0.1185153,0.1032821,-0.7088579,-1.
 3556186,0.0613684,-0.0039019,-0.0117056,-0.0577764,0.910934,0.936485,-
 0.099564,0.7861962,1.3881425,0.1104582,-0.0261901,-0.0121554,-0.003771
 ,-0.0406618,0.1070739,0.0080424,0.0869337,0.0227319,0.2074544,0.104886
 4,0.0184511,-0.046886,0.1952021,0.2770803,-0.0479684,0.2048284,0.72388
 33,-0.1278961,0.0568812,0.1040169,0.0453634,-0.01981,-0.0771514,0.0131
 009,-0.1028961,-0.1562311,0.140961,-0.0099857,0.0393528,0.0295455,0.02
 8089,-0.065857,-0.0026511,-0.0216638,-0.0458095,0.0262739,-0.0747958,-
 0.0115139,-0.0510291,-0.1436979,0.0203903,-0.0089952,-0.0216654,0.0257
 523,-0.1280568,0.0407531,0.0003069,-0.0045197,0.0440838,0.0026354,0.03
 10067,-0.0055436,0.0011327,0.1430099,0.0027754,-0.0743766,-0.0156332,0
 .086141,0.0666539,0.0100858,-0.0170213,0.1040484,-0.1566704,-0.0196316
 ,0.0485629,0.0131027,0.0106412,-0.0403331,-0.0169124,-0.0198564,0.0444
 207,0.0463745,0.034085,-0.0680221,0.0185026,-0.0301687,0.0867627,-0.03
 11837,0.0740972,-0.1748049,0.1430099,0.0027755,0.0743767,-0.0156332,0.
 0861411,-0.0666538,-0.0100857,0.0170213,0.1040485,0.0463745,0.034085,0
 .0680221,0.0185026,-0.0301687,-0.0867627,0.0311837,-0.0740972,-0.17480
 5,-0.1566704,-0.0196316,-0.048563,0.0131028,0.0106412,0.0403331,0.0169
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 A successful marriage requires falling in love
 many times, always with the same person.
                           -- Mignon McLaughlin
 Job cpu time:       1 days  3 hours 55 minutes  1.6 seconds.
 Elapsed time:       0 days  3 hours 29 minutes 25.5 seconds.
 File lengths (MBytes):  RWF=   1030 Int=      0 D2E=      0 Chk=     41 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep  6 15:01:45 2021.
